N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1H-indazol-5-amine

C13H14ClN5 — CID 68681328

IUPACN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1H-indazol-5-amine
SMILESCc1nn(C)c(Cl)c1CNc1ccc2[nH]ncc2c1
InChIInChI=1S/C13H14ClN5/c1-8-11(13(14)19(2)18-8)7-15-10-3-4-12-9(5-10)6-16-17-12/h3-6,15H,7H2,1-2H3,(H,16,17)
InChIKeyISNGRBUSQGRUEU-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.87
Rot. Bonds3

About N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1H-indazol-5-amine

N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1H-indazol-5-amine (PubChem CID 68681328) has the molecular formula C13H14ClN5 and a molecular weight of 275.74 g/mol. Its IUPAC name is N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1H-indazol-5-amine
PubChem CID68681328
Molecular FormulaC13H14ClN5
Molecular Weight275.74 g/mol
Exact Mass275.09
IUPAC NameN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1H-indazol-5-amine
SMILESCc1nn(C)c(Cl)c1CNc1ccc2[nH]ncc2c1
InChIInChI=1S/C13H14ClN5/c1-8-11(13(14)19(2)18-8)7-15-10-3-4-12-9(5-10)6-16-17-12/h3-6,15H,7H2,1-2H3,(H,16,17)
InChIKeyISNGRBUSQGRUEU-UHFFFAOYSA-N
XLogP2.87
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1H-indazol-5-amine?
The IUPAC name of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1H-indazol-5-amine (CID 68681328) is N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1H-indazol-5-amine.
What is the SMILES notation for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1H-indazol-5-amine?
The canonical SMILES for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1H-indazol-5-amine is Cc1nn(C)c(Cl)c1CNc1ccc2[nH]ncc2c1.
What is the InChIKey of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1H-indazol-5-amine?
The InChIKey is ISNGRBUSQGRUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5/c1-8-11(13(14)19(2)18-8)7-15-10-3-4-12-9(5-10)6-16-17-12/h3-6,15H,7H2,1-2H3,(H,16,17).
What are the key properties of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1H-indazol-5-amine?
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1H-indazol-5-amine has a molecular weight of 275.74 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1H-indazol-5-amine is sourced from PubChem (CID 68681328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).