4-(3-chloro-1H-indol-4-yl)-1H-pyrazol-5-amine

C11H9ClN4 — CID 117337235

IUPAC4-(3-chloro-1H-indol-4-yl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1cccc2[nH]cc(Cl)c12
InChIInChI=1S/C11H9ClN4/c12-8-5-14-9-3-1-2-6(10(8)9)7-4-15-16-11(7)13/h1-5,14H,(H3,13,15,16)
InChIKeySFMAZZGSIQAXGF-UHFFFAOYSA-N
MW232.67 g/mol
LogP2.79
Rot. Bonds1

About 4-(3-chloro-1H-indol-4-yl)-1H-pyrazol-5-amine

4-(3-chloro-1H-indol-4-yl)-1H-pyrazol-5-amine (PubChem CID 117337235) has the molecular formula C11H9ClN4 and a molecular weight of 232.67 g/mol. Its IUPAC name is 4-(3-chloro-1H-indol-4-yl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(3-chloro-1H-indol-4-yl)-1H-pyrazol-5-amine
PubChem CID117337235
Molecular FormulaC11H9ClN4
Molecular Weight232.67 g/mol
Exact Mass232.05
IUPAC Name4-(3-chloro-1H-indol-4-yl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1cccc2[nH]cc(Cl)c12
InChIInChI=1S/C11H9ClN4/c12-8-5-14-9-3-1-2-6(10(8)9)7-4-15-16-11(7)13/h1-5,14H,(H3,13,15,16)
InChIKeySFMAZZGSIQAXGF-UHFFFAOYSA-N
XLogP2.79
TPSA70.49 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-chloro-1H-indol-4-yl)-1H-pyrazol-3-amine
CID 117337228
4-(3-chloro-2-fluorophenyl)-1H-pyrazol-5-amine
CID 82803223
3-(3-chloro-1H-indol-4-yl)-1,2-oxazol-5-amine
CID 117339578
4-(1,3-dimethylindazol-4-yl)-1H-pyrazol-5-amine
CID 117327028
4-(7-chloro-1-methylbenzimidazol-2-yl)-1H-pyrazol-5-amine
CID 54920303
4-(3-bromo-1H-indol-4-yl)-1,2-oxazol-5-amine
CID 117445500
5-(4-fluoro-1H-indol-3-yl)-1H-pyrazol-4-amine
CID 136986362
4-(1,2-benzoxazol-7-yl)-1H-pyrazol-5-amine
CID 117289183
2-(5-amino-1H-pyrazol-4-yl)benzonitrile
CID 117279793
4-[2-chloro-4-(difluoromethyl)phenyl]-1H-pyrazol-5-amine
CID 117360992
4-(2-fluoro-3-methoxyphenyl)-1H-pyrazol-5-amine
CID 117295549
3-(3-chloro-1H-indol-4-yl)-1,2-oxazole-5-carboxylic acid
CID 117411341

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-1H-indol-4-yl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(3-chloro-1H-indol-4-yl)-1H-pyrazol-5-amine (CID 117337235) is 4-(3-chloro-1H-indol-4-yl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(3-chloro-1H-indol-4-yl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(3-chloro-1H-indol-4-yl)-1H-pyrazol-5-amine is Nc1[nH]ncc1-c1cccc2[nH]cc(Cl)c12.
What is the InChIKey of 4-(3-chloro-1H-indol-4-yl)-1H-pyrazol-5-amine?
The InChIKey is SFMAZZGSIQAXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4/c12-8-5-14-9-3-1-2-6(10(8)9)7-4-15-16-11(7)13/h1-5,14H,(H3,13,15,16).
What are the key properties of 4-(3-chloro-1H-indol-4-yl)-1H-pyrazol-5-amine?
4-(3-chloro-1H-indol-4-yl)-1H-pyrazol-5-amine has a molecular weight of 232.67 g/mol, XLogP of 2.79, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-1H-indol-4-yl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117337235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).