3-[4-(4-chloropyrazol-1-yl)phenyl]-1-methylpyrazol-5-amine

C13H12ClN5 — CID 117437065

IUPAC3-[4-(4-chloropyrazol-1-yl)phenyl]-1-methylpyrazol-5-amine
SMILESCn1nc(-c2ccc(-n3cc(Cl)cn3)cc2)cc1N
InChIInChI=1S/C13H12ClN5/c1-18-13(15)6-12(17-18)9-2-4-11(5-3-9)19-8-10(14)7-16-19/h2-8H,15H2,1H3
InChIKeyPQTOFJXZRZBOJV-UHFFFAOYSA-N
MW273.73 g/mol
LogP2.51
Rot. Bonds2

About 3-[4-(4-chloropyrazol-1-yl)phenyl]-1-methylpyrazol-5-amine

3-[4-(4-chloropyrazol-1-yl)phenyl]-1-methylpyrazol-5-amine (PubChem CID 117437065) has the molecular formula C13H12ClN5 and a molecular weight of 273.73 g/mol. Its IUPAC name is 3-[4-(4-chloropyrazol-1-yl)phenyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-[4-(4-chloropyrazol-1-yl)phenyl]-1-methylpyrazol-5-amine
PubChem CID117437065
Molecular FormulaC13H12ClN5
Molecular Weight273.73 g/mol
Exact Mass273.08
IUPAC Name3-[4-(4-chloropyrazol-1-yl)phenyl]-1-methylpyrazol-5-amine
SMILESCn1nc(-c2ccc(-n3cc(Cl)cn3)cc2)cc1N
InChIInChI=1S/C13H12ClN5/c1-18-13(15)6-12(17-18)9-2-4-11(5-3-9)19-8-10(14)7-16-19/h2-8H,15H2,1H3
InChIKeyPQTOFJXZRZBOJV-UHFFFAOYSA-N
XLogP2.51
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-(4-chloropyrazol-1-yl)phenyl]-1-methylpyrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,4-dichlorophenyl)-1-methylpyrazol-5-amine
CID 1471110
3-(3-chloro-4-pyrazol-1-ylphenyl)-1-methylpyrazol-5-amine
CID 117437053
(1S)-1-[4-(4-chloropyrazol-1-yl)phenyl]ethanamine
CID 78937576
4-(4-chloropyrazol-1-yl)benzaldehyde
CID 61034878
4-(5-amino-1-methylpyrazol-3-yl)-2-chlorophenol
CID 136968433
1-[4-(5-amino-1-methylpyrazol-3-yl)phenyl]-2-methylpyrazolidin-3-one
CID 117431160
3-(3-chloro-5-methylphenyl)-1-methylpyrazol-5-amine
CID 81323807
4-chloro-1-(3,5-dichlorophenyl)pyrazole
CID 117063020
3-[4-(1-fluoroethyl)phenyl]-1-methylpyrazol-5-amine
CID 117312392
3-[4-chloro-3-(dimethylamino)phenyl]-1-methylpyrazol-5-amine
CID 115111978
1-methyl-3-pyrimidin-5-ylpyrazol-5-amine
CID 102921950
1-[4-(4-chloropyrazol-1-yl)phenyl]cyclopropan-1-amine
CID 117339692

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chloropyrazol-1-yl)phenyl]-1-methylpyrazol-5-amine?
The IUPAC name of 3-[4-(4-chloropyrazol-1-yl)phenyl]-1-methylpyrazol-5-amine (CID 117437065) is 3-[4-(4-chloropyrazol-1-yl)phenyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-[4-(4-chloropyrazol-1-yl)phenyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 3-[4-(4-chloropyrazol-1-yl)phenyl]-1-methylpyrazol-5-amine is Cn1nc(-c2ccc(-n3cc(Cl)cn3)cc2)cc1N.
What is the InChIKey of 3-[4-(4-chloropyrazol-1-yl)phenyl]-1-methylpyrazol-5-amine?
The InChIKey is PQTOFJXZRZBOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5/c1-18-13(15)6-12(17-18)9-2-4-11(5-3-9)19-8-10(14)7-16-19/h2-8H,15H2,1H3.
What are the key properties of 3-[4-(4-chloropyrazol-1-yl)phenyl]-1-methylpyrazol-5-amine?
3-[4-(4-chloropyrazol-1-yl)phenyl]-1-methylpyrazol-5-amine has a molecular weight of 273.73 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chloropyrazol-1-yl)phenyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 117437065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).