4-(4-chloro-1-methylindol-6-yl)-1H-pyrazol-5-amine

C12H11ClN4 — CID 117369267

IUPAC4-(4-chloro-1-methylindol-6-yl)-1H-pyrazol-5-amine
SMILESCn1ccc2c(Cl)cc(-c3cn[nH]c3N)cc21
InChIInChI=1S/C12H11ClN4/c1-17-3-2-8-10(13)4-7(5-11(8)17)9-6-15-16-12(9)14/h2-6H,1H3,(H3,14,15,16)
InChIKeyWTBVOHRJLHLBTA-UHFFFAOYSA-N
MW246.70 g/mol
LogP2.80
Rot. Bonds1

About 4-(4-chloro-1-methylindol-6-yl)-1H-pyrazol-5-amine

4-(4-chloro-1-methylindol-6-yl)-1H-pyrazol-5-amine (PubChem CID 117369267) has the molecular formula C12H11ClN4 and a molecular weight of 246.70 g/mol. Its IUPAC name is 4-(4-chloro-1-methylindol-6-yl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(4-chloro-1-methylindol-6-yl)-1H-pyrazol-5-amine
PubChem CID117369267
Molecular FormulaC12H11ClN4
Molecular Weight246.70 g/mol
Exact Mass246.07
IUPAC Name4-(4-chloro-1-methylindol-6-yl)-1H-pyrazol-5-amine
SMILESCn1ccc2c(Cl)cc(-c3cn[nH]c3N)cc21
InChIInChI=1S/C12H11ClN4/c1-17-3-2-8-10(13)4-7(5-11(8)17)9-6-15-16-12(9)14/h2-6H,1H3,(H3,14,15,16)
InChIKeyWTBVOHRJLHLBTA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

4-(3-chloro-1-methylindazol-6-yl)-1H-pyrazol-5-amine
CID 117372451
4-(3-methylbenzimidazol-5-yl)-1H-pyrazol-5-amine
CID 117304063
4-(3-bromo-5-chloro-4-fluorophenyl)-1H-pyrazol-5-amine
CID 117469643
4-(3-chloro-5-ethyl-4-fluorophenyl)-1H-pyrazol-5-amine
CID 117351847
4-(3-chloro-4-methylsulfonylphenyl)-1H-pyrazol-5-amine
CID 117432033
4-(7-chloro-2,2-dimethyl-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine
CID 117418419
5-(4-chloro-1-methylindol-6-yl)-1,2-oxazole-3-carboxylic acid
CID 117443276
4-(3,5-difluoro-4-methylphenyl)-1H-pyrazol-5-amine
CID 117298238
4-(3,5-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 978094
4-(4-bromophenyl)-1H-pyrazol-5-amine
CID 17390115
4-[2-chloro-4-(difluoromethyl)phenyl]-1H-pyrazol-5-amine
CID 117360992
4-[4-(triazol-2-yl)phenyl]-1H-pyrazol-5-amine
CID 117325187

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-1-methylindol-6-yl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(4-chloro-1-methylindol-6-yl)-1H-pyrazol-5-amine (CID 117369267) is 4-(4-chloro-1-methylindol-6-yl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(4-chloro-1-methylindol-6-yl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(4-chloro-1-methylindol-6-yl)-1H-pyrazol-5-amine is Cn1ccc2c(Cl)cc(-c3cn[nH]c3N)cc21.
What is the InChIKey of 4-(4-chloro-1-methylindol-6-yl)-1H-pyrazol-5-amine?
The InChIKey is WTBVOHRJLHLBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4/c1-17-3-2-8-10(13)4-7(5-11(8)17)9-6-15-16-12(9)14/h2-6H,1H3,(H3,14,15,16).
What are the key properties of 4-(4-chloro-1-methylindol-6-yl)-1H-pyrazol-5-amine?
4-(4-chloro-1-methylindol-6-yl)-1H-pyrazol-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-(4-chloro-1-methylindol-6-yl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117369267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).