5-chloro-1-propan-2-yl-3-propylindazole

C13H17ClN2 — CID 66838271

IUPAC5-chloro-1-propan-2-yl-3-propylindazole
SMILESCCCc1nn(C(C)C)c2ccc(Cl)cc12
InChIInChI=1S/C13H17ClN2/c1-4-5-12-11-8-10(14)6-7-13(11)16(15-12)9(2)3/h6-9H,4-5H2,1-3H3
InChIKeyURINSHLNFSRLJX-UHFFFAOYSA-N
MW236.75 g/mol
LogP4.22
Rot. Bonds3

About 5-chloro-1-propan-2-yl-3-propylindazole

5-chloro-1-propan-2-yl-3-propylindazole (PubChem CID 66838271) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 5-chloro-1-propan-2-yl-3-propylindazole.

Molecular Properties

Compound Name5-chloro-1-propan-2-yl-3-propylindazole
PubChem CID66838271
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name5-chloro-1-propan-2-yl-3-propylindazole
SMILESCCCc1nn(C(C)C)c2ccc(Cl)cc12
InChIInChI=1S/C13H17ClN2/c1-4-5-12-11-8-10(14)6-7-13(11)16(15-12)9(2)3/h6-9H,4-5H2,1-3H3
InChIKeyURINSHLNFSRLJX-UHFFFAOYSA-N
XLogP4.22
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-3-ethyl-1-propylindazole
CID 123245201
2-(3-chloro-1-propan-2-ylindazol-5-yl)ethanol
CID 175518808
(5-chloro-2-propan-2-ylindazol-3-yl)methanol
CID 84725614
5-chloro-3-propyl-1,2-benzoxazole
CID 177441430
1-(5-chloro-1-methylindazol-3-yl)propan-1-amine
CID 57140660
ethane;3-[3-[2-(2-ethylphenyl)ethyl]-1-propan-2-ylindazol-5-yl]aniline;prop-1-ene
CID 156725455
3,5-dichloro-1-propan-2-ylindole
CID 166553086
1-[3-(3,6-dichlorocarbazol-9-yl)-2-methylpropyl]pyrrole-2,5-diol
CID 123728166
4-chloro-2-propan-2-yl-1-propylbenzene;methanethiol
CID 153337592
5-chloro-3-phenyl-1-(1-piperidin-1-ylethyl)indazole;hydrochloride
CID 21494216
[(2S)-butan-2-yl]-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]azanium
CID 7478117
1-[(3-chloro-1-propan-2-ylindazol-5-yl)methoxy]propan-2-ol
CID 174255619

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-propan-2-yl-3-propylindazole?
The IUPAC name of 5-chloro-1-propan-2-yl-3-propylindazole (CID 66838271) is 5-chloro-1-propan-2-yl-3-propylindazole.
What is the SMILES notation for 5-chloro-1-propan-2-yl-3-propylindazole?
The canonical SMILES for 5-chloro-1-propan-2-yl-3-propylindazole is CCCc1nn(C(C)C)c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-1-propan-2-yl-3-propylindazole?
The InChIKey is URINSHLNFSRLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2/c1-4-5-12-11-8-10(14)6-7-13(11)16(15-12)9(2)3/h6-9H,4-5H2,1-3H3.
What are the key properties of 5-chloro-1-propan-2-yl-3-propylindazole?
5-chloro-1-propan-2-yl-3-propylindazole has a molecular weight of 236.75 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-propan-2-yl-3-propylindazole is sourced from PubChem (CID 66838271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).