4-(3-chloro-1H-indol-7-yl)-1-methylpyrazol-5-amine

C12H11ClN4 — CID 117369275

IUPAC4-(3-chloro-1H-indol-7-yl)-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2cccc3c(Cl)c[nH]c23)c1N
InChIInChI=1S/C12H11ClN4/c1-17-12(14)9(5-16-17)7-3-2-4-8-10(13)6-15-11(7)8/h2-6,15H,14H2,1H3
InChIKeyWVQALCAZKVOJMY-UHFFFAOYSA-N
MW246.70 g/mol
LogP2.80
Rot. Bonds1

About 4-(3-chloro-1H-indol-7-yl)-1-methylpyrazol-5-amine

4-(3-chloro-1H-indol-7-yl)-1-methylpyrazol-5-amine (PubChem CID 117369275) has the molecular formula C12H11ClN4 and a molecular weight of 246.70 g/mol. Its IUPAC name is 4-(3-chloro-1H-indol-7-yl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(3-chloro-1H-indol-7-yl)-1-methylpyrazol-5-amine
PubChem CID117369275
Molecular FormulaC12H11ClN4
Molecular Weight246.70 g/mol
Exact Mass246.07
IUPAC Name4-(3-chloro-1H-indol-7-yl)-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2cccc3c(Cl)c[nH]c23)c1N
InChIInChI=1S/C12H11ClN4/c1-17-12(14)9(5-16-17)7-3-2-4-8-10(13)6-15-11(7)8/h2-6,15H,14H2,1H3
InChIKeyWVQALCAZKVOJMY-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

4-(3-chloro-1-methylindazol-7-yl)-1-methylpyrazol-5-amine
CID 117409154
4-(1H-indol-4-yl)-1-methylpyrazol-5-amine
CID 117303081
4-[3-chloro-2-(fluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 117351866
2-(5-amino-1-methylpyrazol-4-yl)phenol
CID 105422844
[3-(5-amino-1-methylpyrazol-4-yl)-2-methoxyphenyl]methanol
CID 117338191
1-methyl-4-(2-propan-2-ylphenyl)pyrazol-5-amine
CID 117307113
4-(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine
CID 63038462
4-(3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine;hydrobromide
CID 117486227
4-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 117376784
4-[3-fluoro-2-(fluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 117319241
1-methyl-4-[2-(trifluoromethyl)-1H-indol-4-yl]pyrazol-5-amine
CID 117449657
4-[3-fluoro-2-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 117401092

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-1H-indol-7-yl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(3-chloro-1H-indol-7-yl)-1-methylpyrazol-5-amine (CID 117369275) is 4-(3-chloro-1H-indol-7-yl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(3-chloro-1H-indol-7-yl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(3-chloro-1H-indol-7-yl)-1-methylpyrazol-5-amine is Cn1ncc(-c2cccc3c(Cl)c[nH]c23)c1N.
What is the InChIKey of 4-(3-chloro-1H-indol-7-yl)-1-methylpyrazol-5-amine?
The InChIKey is WVQALCAZKVOJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4/c1-17-12(14)9(5-16-17)7-3-2-4-8-10(13)6-15-11(7)8/h2-6,15H,14H2,1H3.
What are the key properties of 4-(3-chloro-1H-indol-7-yl)-1-methylpyrazol-5-amine?
4-(3-chloro-1H-indol-7-yl)-1-methylpyrazol-5-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 4-(3-chloro-1H-indol-7-yl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117369275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).