5-(3-chloro-1-methylindol-7-yl)-1H-pyrazol-3-amine

C12H11ClN4 — CID 117369289

IUPAC5-(3-chloro-1-methylindol-7-yl)-1H-pyrazol-3-amine
SMILESCn1cc(Cl)c2cccc(-c3cc(N)n[nH]3)c21
InChIInChI=1S/C12H11ClN4/c1-17-6-9(13)7-3-2-4-8(12(7)17)10-5-11(14)16-15-10/h2-6H,1H3,(H3,14,15,16)
InChIKeyLKSDCGFQQIDCMJ-UHFFFAOYSA-N
MW246.70 g/mol
LogP2.80
Rot. Bonds1

About 5-(3-chloro-1-methylindol-7-yl)-1H-pyrazol-3-amine

5-(3-chloro-1-methylindol-7-yl)-1H-pyrazol-3-amine (PubChem CID 117369289) has the molecular formula C12H11ClN4 and a molecular weight of 246.70 g/mol. Its IUPAC name is 5-(3-chloro-1-methylindol-7-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3-chloro-1-methylindol-7-yl)-1H-pyrazol-3-amine
PubChem CID117369289
Molecular FormulaC12H11ClN4
Molecular Weight246.70 g/mol
Exact Mass246.07
IUPAC Name5-(3-chloro-1-methylindol-7-yl)-1H-pyrazol-3-amine
SMILESCn1cc(Cl)c2cccc(-c3cc(N)n[nH]3)c21
InChIInChI=1S/C12H11ClN4/c1-17-6-9(13)7-3-2-4-8(12(7)17)10-5-11(14)16-15-10/h2-6H,1H3,(H3,14,15,16)
InChIKeyLKSDCGFQQIDCMJ-UHFFFAOYSA-N
XLogP2.80
TPSA59.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-chloro-2-methylphenyl)-1H-pyrazol-3-amine
CID 67188640
5-(3-chloro-2-fluorophenyl)-1H-pyrazol-3-amine
CID 81265191
5-(3-chloro-1H-indol-4-yl)-1H-pyrazol-3-amine
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3-(7-chloro-1-methylindol-3-yl)-1H-pyrazole-5-carboxylic acid
CID 115108158
2-chloro-6-(5-methyl-1H-pyrazol-3-yl)aniline
CID 91620127
5-(1-methyl-2,3-dihydroindol-4-yl)-1H-pyrazol-3-amine
CID 117305701
5-(3-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine;hydrobromide
CID 117464714
5-phthalazin-5-yl-1H-pyrazol-3-amine
CID 117301213
5-(1-methyl-3,4-dihydro-2H-quinolin-5-yl)-1H-pyrazol-3-amine
CID 117329151
5-(3-ethyl-2-methoxyphenyl)-1H-pyrazol-3-amine
CID 117309562
5-(4-bromo-2-chlorophenyl)-1H-pyrazol-3-amine
CID 43805552
5-(2-chloro-5-methoxyphenyl)-1H-pyrazol-3-amine
CID 117321002

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-1-methylindol-7-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(3-chloro-1-methylindol-7-yl)-1H-pyrazol-3-amine (CID 117369289) is 5-(3-chloro-1-methylindol-7-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3-chloro-1-methylindol-7-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3-chloro-1-methylindol-7-yl)-1H-pyrazol-3-amine is Cn1cc(Cl)c2cccc(-c3cc(N)n[nH]3)c21.
What is the InChIKey of 5-(3-chloro-1-methylindol-7-yl)-1H-pyrazol-3-amine?
The InChIKey is LKSDCGFQQIDCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4/c1-17-6-9(13)7-3-2-4-8(12(7)17)10-5-11(14)16-15-10/h2-6H,1H3,(H3,14,15,16).
What are the key properties of 5-(3-chloro-1-methylindol-7-yl)-1H-pyrazol-3-amine?
5-(3-chloro-1-methylindol-7-yl)-1H-pyrazol-3-amine has a molecular weight of 246.70 g/mol, XLogP of 2.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-1-methylindol-7-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 117369289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).