4-(2-chlorophenyl)-5-(1H-pyrazol-4-yl)-1H-pyrazol-3-amine

C12H10ClN5 — CID 135969081

IUPAC4-(2-chlorophenyl)-5-(1H-pyrazol-4-yl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2cn[nH]c2)c1-c1ccccc1Cl
InChIInChI=1S/C12H10ClN5/c13-9-4-2-1-3-8(9)10-11(17-18-12(10)14)7-5-15-16-6-7/h1-6H,(H,15,16)(H3,14,17,18)
InChIKeyBXHAJIRHUUKQHB-UHFFFAOYSA-N
MW259.70 g/mol
LogP2.70
Rot. Bonds2

About 4-(2-chlorophenyl)-5-(1H-pyrazol-4-yl)-1H-pyrazol-3-amine

4-(2-chlorophenyl)-5-(1H-pyrazol-4-yl)-1H-pyrazol-3-amine (PubChem CID 135969081) has the molecular formula C12H10ClN5 and a molecular weight of 259.70 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-5-(1H-pyrazol-4-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-5-(1H-pyrazol-4-yl)-1H-pyrazol-3-amine
PubChem CID135969081
Molecular FormulaC12H10ClN5
Molecular Weight259.70 g/mol
Exact Mass259.06
IUPAC Name4-(2-chlorophenyl)-5-(1H-pyrazol-4-yl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2cn[nH]c2)c1-c1ccccc1Cl
InChIInChI=1S/C12H10ClN5/c13-9-4-2-1-3-8(9)10-11(17-18-12(10)14)7-5-15-16-6-7/h1-6H,(H,15,16)(H3,14,17,18)
InChIKeyBXHAJIRHUUKQHB-UHFFFAOYSA-N
XLogP2.70
TPSA83.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-bromophenyl)-5-(2-chlorophenyl)-1H-pyrazol-3-amine
CID 62829467
5-(2-chlorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine
CID 62830136
5-(5-bromo-2-methylphenyl)-4-(2-chlorophenyl)-1H-pyrazol-3-amine
CID 65308168
4-(2-chlorophenyl)-5-(2-methoxy-3-pyridinyl)-1H-pyrazol-3-amine
CID 62874646
4-(3-chloro-2-fluorophenyl)-5-(3-chlorophenyl)-1H-pyrazol-3-amine
CID 82788626
methyl 3-amino-4-(2-chlorophenyl)-1H-pyrazole-5-carboxylate
CID 82087785
4-(3-chloro-2-fluorophenyl)-5-(3-methylphenyl)-1H-pyrazol-3-amine
CID 82788631
5-(3-chloro-2-fluorophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
CID 81266285
5-(3-chloro-5-methylphenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
CID 81316434
5-(2,3-dichlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine
CID 80523799
4-(2-chlorophenyl)-5-heptan-4-yl-1H-pyrazol-3-amine
CID 82983963
5-ethynyl-4-phenyl-1H-pyrazol-3-amine
CID 138488812

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-5-(1H-pyrazol-4-yl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(2-chlorophenyl)-5-(1H-pyrazol-4-yl)-1H-pyrazol-3-amine (CID 135969081) is 4-(2-chlorophenyl)-5-(1H-pyrazol-4-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(2-chlorophenyl)-5-(1H-pyrazol-4-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(2-chlorophenyl)-5-(1H-pyrazol-4-yl)-1H-pyrazol-3-amine is Nc1n[nH]c(-c2cn[nH]c2)c1-c1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenyl)-5-(1H-pyrazol-4-yl)-1H-pyrazol-3-amine?
The InChIKey is BXHAJIRHUUKQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5/c13-9-4-2-1-3-8(9)10-11(17-18-12(10)14)7-5-15-16-6-7/h1-6H,(H,15,16)(H3,14,17,18).
What are the key properties of 4-(2-chlorophenyl)-5-(1H-pyrazol-4-yl)-1H-pyrazol-3-amine?
4-(2-chlorophenyl)-5-(1H-pyrazol-4-yl)-1H-pyrazol-3-amine has a molecular weight of 259.70 g/mol, XLogP of 2.70, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-5-(1H-pyrazol-4-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 135969081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).