4-chloro-3-methyl-N-propan-2-yl-2H-indazol-5-amine;4-chloro-N-propan-2-yl-1H-indazol-5-amine;7-chloro-N-propan-2-yl-1H-indazol-5-amine;4,7-dichloro-N-propan-2-yl-1H-indazol-5-amine;3,7-dimethyl-N-propan-2-yl-2H-indazol-5-amine;3-methyl-N-propan-2-yl-2H-indazol-5-amine;N-propan-2-yl-1H-indazol-5-amine
C74H94Cl5N21 — CID 159326520
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC4-chloro-3-methyl-N-propan-2-yl-2H-indazol-5-amine;4-chloro-N-propan-2-yl-1H-indazol-5-amine;7-chloro-N-propan-2-yl-1H-indazol-5-amine;4,7-dichloro-N-propan-2-yl-1H-indazol-5-amine;3,7-dimethyl-N-propan-2-yl-2H-indazol-5-amine;3-methyl-N-propan-2-yl-2H-indazol-5-amine;N-propan-2-yl-1H-indazol-5-amine
SMILESCC(C)Nc1cc(Cl)c2[nH]ncc2c1.CC(C)Nc1cc(Cl)c2[nH]ncc2c1Cl.CC(C)Nc1ccc2[nH]ncc2c1.CC(C)Nc1ccc2[nH]ncc2c1Cl.Cc1[nH]nc2c(C)cc(NC(C)C)cc12.Cc1[nH]nc2ccc(NC(C)C)c(Cl)c12.Cc1[nH]nc2ccc(NC(C)C)cc12
InChIInChI=1S/C12H17N3.C11H14ClN3.C11H15N3.C10H11Cl2N3.2C10H12ClN3.C10H13N3/c1-7(2)13-10-5-8(3)12-11(6-10)9(4)14-15-12;1-6(2)13-9-5-4-8-10(11(9)12)7(3)14-15-8;1-7(2)12-9-4-5-11-10(6-9)8(3)13-14-11;1-5(2)14-8-3-7(11)10-6(9(8)12)4-13-15-10;1-6(2)13-8-3-7-5-12-14-10(7)9(11)4-8;1-6(2)13-9-4-3-8-7(10(9)11)5-12-14-8;1-7(2)12-9-3-4-10-8(5-9)6-11-13-10/h5-7,13H,1-4H3,(H,14,15);4-6,13H,1-3H3,(H,14,15);4-7,12H,1-3H3,(H,13,14);3-5,14H,1-2H3,(H,13,15);2*3-6,13H,1-2H3,(H,12,14);3-7,12H,1-2H3,(H,11,13)
InChIKeyLEKYHMIVFRITCR-UHFFFAOYSA-N
MW1454.98 g/mol
LogP21.18
Rot. Bonds14
About 4-chloro-3-methyl-N-propan-2-yl-2H-indazol-5-amine;4-chloro-N-propan-2-yl-1H-indazol-5-amine;7-chloro-N-propan-2-yl-1H-indazol-5-amine;4,7-dichloro-N-propan-2-yl-1H-indazol-5-amine;3,7-dimethyl-N-propan-2-yl-2H-indazol-5-amine;3-methyl-N-propan-2-yl-2H-indazol-5-amine;N-propan-2-yl-1H-indazol-5-amine
4-chloro-3-methyl-N-propan-2-yl-2H-indazol-5-amine;4-chloro-N-propan-2-yl-1H-indazol-5-amine;7-chloro-N-propan-2-yl-1H-indazol-5-amine;4,7-dichloro-N-propan-2-yl-1H-indazol-5-amine;3,7-dimethyl-N-propan-2-yl-2H-indazol-5-amine;3-methyl-N-propan-2-yl-2H-indazol-5-amine;N-propan-2-yl-1H-indazol-5-amine (PubChem CID 159326520) has the molecular formula C74H94Cl5N21 and a molecular weight of 1454.98 g/mol. Its IUPAC name is 4-chloro-3-methyl-N-propan-2-yl-2H-indazol-5-amine;4-chloro-N-propan-2-yl-1H-indazol-5-amine;7-chloro-N-propan-2-yl-1H-indazol-5-amine;4,7-dichloro-N-propan-2-yl-1H-indazol-5-amine;3,7-dimethyl-N-propan-2-yl-2H-indazol-5-amine;3-methyl-N-propan-2-yl-2H-indazol-5-amine;N-propan-2-yl-1H-indazol-5-amine.
Molecular Properties
| Compound Name | 4-chloro-3-methyl-N-propan-2-yl-2H-indazol-5-amine;4-chloro-N-propan-2-yl-1H-indazol-5-amine;7-chloro-N-propan-2-yl-1H-indazol-5-amine;4,7-dichloro-N-propan-2-yl-1H-indazol-5-amine;3,7-dimethyl-N-propan-2-yl-2H-indazol-5-amine;3-methyl-N-propan-2-yl-2H-indazol-5-amine;N-propan-2-yl-1H-indazol-5-amine |
|---|---|
| PubChem CID | 159326520 |
| Molecular Formula | C74H94Cl5N21 |
| Molecular Weight | 1454.98 g/mol |
| Exact Mass | 1451.64 |
| IUPAC Name | 4-chloro-3-methyl-N-propan-2-yl-2H-indazol-5-amine;4-chloro-N-propan-2-yl-1H-indazol-5-amine;7-chloro-N-propan-2-yl-1H-indazol-5-amine;4,7-dichloro-N-propan-2-yl-1H-indazol-5-amine;3,7-dimethyl-N-propan-2-yl-2H-indazol-5-amine;3-methyl-N-propan-2-yl-2H-indazol-5-amine;N-propan-2-yl-1H-indazol-5-amine |
| SMILES | CC(C)Nc1cc(Cl)c2[nH]ncc2c1.CC(C)Nc1cc(Cl)c2[nH]ncc2c1Cl.CC(C)Nc1ccc2[nH]ncc2c1.CC(C)Nc1ccc2[nH]ncc2c1Cl.Cc1[nH]nc2c(C)cc(NC(C)C)cc12.Cc1[nH]nc2ccc(NC(C)C)c(Cl)c12.Cc1[nH]nc2ccc(NC(C)C)cc12 |
| InChI | InChI=1S/C12H17N3.C11H14ClN3.C11H15N3.C10H11Cl2N3.2C10H12ClN3.C10H13N3/c1-7(2)13-10-5-8(3)12-11(6-10)9(4)14-15-12;1-6(2)13-9-5-4-8-10(11(9)12)7(3)14-15-8;1-7(2)12-9-4-5-11-10(6-9)8(3)13-14-11;1-5(2)14-8-3-7(11)10-6(9(8)12)4-13-15-10;1-6(2)13-8-3-7-5-12-14-10(7)9(11)4-8;1-6(2)13-9-4-3-8-7(10(9)11)5-12-14-8;1-7(2)12-9-3-4-10-8(5-9)6-11-13-10/h5-7,13H,1-4H3,(H,14,15);4-6,13H,1-3H3,(H,14,15);4-7,12H,1-3H3,(H,13,14);3-5,14H,1-2H3,(H,13,15);2*3-6,13H,1-2H3,(H,12,14);3-7,12H,1-2H3,(H,11,13) |
| InChIKey | LEKYHMIVFRITCR-UHFFFAOYSA-N |
| XLogP | 21.18 |
| TPSA | 284.97 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 100 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1454.98 |
| LogP ≤ 5 | 21.18 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 14 |
Frequently Asked Questions
What is the IUPAC name of 4-chloro-3-methyl-N-propan-2-yl-2H-indazol-5-amine;4-chloro-N-propan-2-yl-1H-indazol-5-amine;7-chloro-N-propan-2-yl-1H-indazol-5-amine;4,7-dichloro-N-propan-2-yl-1H-indazol-5-amine;3,7-dimethyl-N-propan-2-yl-2H-indazol-5-amine;3-methyl-N-propan-2-yl-2H-indazol-5-amine;N-propan-2-yl-1H-indazol-5-amine?
The IUPAC name of 4-chloro-3-methyl-N-propan-2-yl-2H-indazol-5-amine;4-chloro-N-propan-2-yl-1H-indazol-5-amine;7-chloro-N-propan-2-yl-1H-indazol-5-amine;4,7-dichloro-N-propan-2-yl-1H-indazol-5-amine;3,7-dimethyl-N-propan-2-yl-2H-indazol-5-amine;3-methyl-N-propan-2-yl-2H-indazol-5-amine;N-propan-2-yl-1H-indazol-5-amine (CID 159326520) is 4-chloro-3-methyl-N-propan-2-yl-2H-indazol-5-amine;4-chloro-N-propan-2-yl-1H-indazol-5-amine;7-chloro-N-propan-2-yl-1H-indazol-5-amine;4,7-dichloro-N-propan-2-yl-1H-indazol-5-amine;3,7-dimethyl-N-propan-2-yl-2H-indazol-5-amine;3-methyl-N-propan-2-yl-2H-indazol-5-amine;N-propan-2-yl-1H-indazol-5-amine.
What is the SMILES notation for 4-chloro-3-methyl-N-propan-2-yl-2H-indazol-5-amine;4-chloro-N-propan-2-yl-1H-indazol-5-amine;7-chloro-N-propan-2-yl-1H-indazol-5-amine;4,7-dichloro-N-propan-2-yl-1H-indazol-5-amine;3,7-dimethyl-N-propan-2-yl-2H-indazol-5-amine;3-methyl-N-propan-2-yl-2H-indazol-5-amine;N-propan-2-yl-1H-indazol-5-amine?
The canonical SMILES for 4-chloro-3-methyl-N-propan-2-yl-2H-indazol-5-amine;4-chloro-N-propan-2-yl-1H-indazol-5-amine;7-chloro-N-propan-2-yl-1H-indazol-5-amine;4,7-dichloro-N-propan-2-yl-1H-indazol-5-amine;3,7-dimethyl-N-propan-2-yl-2H-indazol-5-amine;3-methyl-N-propan-2-yl-2H-indazol-5-amine;N-propan-2-yl-1H-indazol-5-amine is CC(C)Nc1cc(Cl)c2[nH]ncc2c1.CC(C)Nc1cc(Cl)c2[nH]ncc2c1Cl.CC(C)Nc1ccc2[nH]ncc2c1.CC(C)Nc1ccc2[nH]ncc2c1Cl.Cc1[nH]nc2c(C)cc(NC(C)C)cc12.Cc1[nH]nc2ccc(NC(C)C)c(Cl)c12.Cc1[nH]nc2ccc(NC(C)C)cc12.
What is the InChIKey of 4-chloro-3-methyl-N-propan-2-yl-2H-indazol-5-amine;4-chloro-N-propan-2-yl-1H-indazol-5-amine;7-chloro-N-propan-2-yl-1H-indazol-5-amine;4,7-dichloro-N-propan-2-yl-1H-indazol-5-amine;3,7-dimethyl-N-propan-2-yl-2H-indazol-5-amine;3-methyl-N-propan-2-yl-2H-indazol-5-amine;N-propan-2-yl-1H-indazol-5-amine?
The InChIKey is LEKYHMIVFRITCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3.C11H14ClN3.C11H15N3.C10H11Cl2N3.2C10H12ClN3.C10H13N3/c1-7(2)13-10-5-8(3)12-11(6-10)9(4)14-15-12;1-6(2)13-9-5-4-8-10(11(9)12)7(3)14-15-8;1-7(2)12-9-4-5-11-10(6-9)8(3)13-14-11;1-5(2)14-8-3-7(11)10-6(9(8)12)4-13-15-10;1-6(2)13-8-3-7-5-12-14-10(7)9(11)4-8;1-6(2)13-9-4-3-8-7(10(9)11)5-12-14-8;1-7(2)12-9-3-4-10-8(5-9)6-11-13-10/h5-7,13H,1-4H3,(H,14,15);4-6,13H,1-3H3,(H,14,15);4-7,12H,1-3H3,(H,13,14);3-5,14H,1-2H3,(H,13,15);2*3-6,13H,1-2H3,(H,12,14);3-7,12H,1-2H3,(H,11,13).
What are the key properties of 4-chloro-3-methyl-N-propan-2-yl-2H-indazol-5-amine;4-chloro-N-propan-2-yl-1H-indazol-5-amine;7-chloro-N-propan-2-yl-1H-indazol-5-amine;4,7-dichloro-N-propan-2-yl-1H-indazol-5-amine;3,7-dimethyl-N-propan-2-yl-2H-indazol-5-amine;3-methyl-N-propan-2-yl-2H-indazol-5-amine;N-propan-2-yl-1H-indazol-5-amine?
4-chloro-3-methyl-N-propan-2-yl-2H-indazol-5-amine;4-chloro-N-propan-2-yl-1H-indazol-5-amine;7-chloro-N-propan-2-yl-1H-indazol-5-amine;4,7-dichloro-N-propan-2-yl-1H-indazol-5-amine;3,7-dimethyl-N-propan-2-yl-2H-indazol-5-amine;3-methyl-N-propan-2-yl-2H-indazol-5-amine;N-propan-2-yl-1H-indazol-5-amine has a molecular weight of 1454.98 g/mol, XLogP of 21.18, 14 rotatable bonds, 14 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-N-propan-2-yl-2H-indazol-5-amine;4-chloro-N-propan-2-yl-1H-indazol-5-amine;7-chloro-N-propan-2-yl-1H-indazol-5-amine;4,7-dichloro-N-propan-2-yl-1H-indazol-5-amine;3,7-dimethyl-N-propan-2-yl-2H-indazol-5-amine;3-methyl-N-propan-2-yl-2H-indazol-5-amine;N-propan-2-yl-1H-indazol-5-amine is sourced from PubChem (CID 159326520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159326520 — identifiers, structure, computed properties (public domain)
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