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

C11H9ClN4 — CID 117337228

IUPAC5-(3-chloro-1H-indol-4-yl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2cccc3[nH]cc(Cl)c23)[nH]n1
InChIInChI=1S/C11H9ClN4/c12-7-5-14-8-3-1-2-6(11(7)8)9-4-10(13)16-15-9/h1-5,14H,(H3,13,15,16)
InChIKeyCSLQVDDFXQRNCA-UHFFFAOYSA-N
MW232.67 g/mol
LogP2.79
Rot. Bonds1

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

5-(3-chloro-1H-indol-4-yl)-1H-pyrazol-3-amine (PubChem CID 117337228) has the molecular formula C11H9ClN4 and a molecular weight of 232.67 g/mol. Its IUPAC name is 5-(3-chloro-1H-indol-4-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3-chloro-1H-indol-4-yl)-1H-pyrazol-3-amine
PubChem CID117337228
Molecular FormulaC11H9ClN4
Molecular Weight232.67 g/mol
Exact Mass232.05
IUPAC Name5-(3-chloro-1H-indol-4-yl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2cccc3[nH]cc(Cl)c23)[nH]n1
InChIInChI=1S/C11H9ClN4/c12-7-5-14-8-3-1-2-6(11(7)8)9-4-10(13)16-15-9/h1-5,14H,(H3,13,15,16)
InChIKeyCSLQVDDFXQRNCA-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

3-(3-chloro-1H-indol-4-yl)-1,2-oxazol-5-amine
CID 117339578
4-(3-chloro-1H-indol-4-yl)-1H-pyrazol-5-amine
CID 117337235
5-(3-chloro-2-methylphenyl)-1H-pyrazol-3-amine
CID 67188640
5-(3-chloro-2-fluorophenyl)-1H-pyrazol-3-amine
CID 81265191
3-(3-chloro-1H-indol-4-yl)-1,2-oxazole-5-carboxylic acid
CID 117411341
5-(3-chloro-1-methylindol-7-yl)-1H-pyrazol-3-amine
CID 117369289
4-[2-(3-amino-1H-pyrazol-5-yl)phenyl]-1,3-dihydroimidazol-2-one
CID 117354737
5-(4-bromo-2-chlorophenyl)-1H-pyrazol-3-amine
CID 43805552
3-(3-amino-1H-pyrazol-5-yl)-1H-indol-7-ol
CID 136985847
5-[2-(triazol-1-yl)phenyl]-1H-pyrazol-3-amine
CID 117325182
5-phthalazin-5-yl-1H-pyrazol-3-amine
CID 117301213
5-(2-chloro-5-methoxyphenyl)-1H-pyrazol-3-amine
CID 117321002

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-1H-indol-4-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(3-chloro-1H-indol-4-yl)-1H-pyrazol-3-amine (CID 117337228) is 5-(3-chloro-1H-indol-4-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3-chloro-1H-indol-4-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3-chloro-1H-indol-4-yl)-1H-pyrazol-3-amine is Nc1cc(-c2cccc3[nH]cc(Cl)c23)[nH]n1.
What is the InChIKey of 5-(3-chloro-1H-indol-4-yl)-1H-pyrazol-3-amine?
The InChIKey is CSLQVDDFXQRNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4/c12-7-5-14-8-3-1-2-6(11(7)8)9-4-10(13)16-15-9/h1-5,14H,(H3,13,15,16).
What are the key properties of 5-(3-chloro-1H-indol-4-yl)-1H-pyrazol-3-amine?
5-(3-chloro-1H-indol-4-yl)-1H-pyrazol-3-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 5-(3-chloro-1H-indol-4-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 117337228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).