4-[(2-chlorophenyl)diazenyl]-5-cyclopropyl-1H-pyrazol-3-amine

C12H12ClN5 — CID 2818916

IUPAC4-[(2-chlorophenyl)diazenyl]-5-cyclopropyl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(C2CC2)c1/N=N/c1ccccc1Cl
InChIInChI=1S/C12H12ClN5/c13-8-3-1-2-4-9(8)15-17-11-10(7-5-6-7)16-18-12(11)14/h1-4,7H,5-6H2,(H3,14,16,18)/b17-15+
InChIKeyLHIPSNFVGAVHHV-BMRADRMJSA-N
MW261.72 g/mol
LogP3.94
Rot. Bonds3

About 4-[(2-chlorophenyl)diazenyl]-5-cyclopropyl-1H-pyrazol-3-amine

4-[(2-chlorophenyl)diazenyl]-5-cyclopropyl-1H-pyrazol-3-amine (PubChem CID 2818916) has the molecular formula C12H12ClN5 and a molecular weight of 261.72 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)diazenyl]-5-cyclopropyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-[(2-chlorophenyl)diazenyl]-5-cyclopropyl-1H-pyrazol-3-amine
PubChem CID2818916
Molecular FormulaC12H12ClN5
Molecular Weight261.72 g/mol
Exact Mass261.08
IUPAC Name4-[(2-chlorophenyl)diazenyl]-5-cyclopropyl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(C2CC2)c1/N=N/c1ccccc1Cl
InChIInChI=1S/C12H12ClN5/c13-8-3-1-2-4-9(8)15-17-11-10(7-5-6-7)16-18-12(11)14/h1-4,7H,5-6H2,(H3,14,16,18)/b17-15+
InChIKeyLHIPSNFVGAVHHV-BMRADRMJSA-N
XLogP3.94
TPSA79.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.72
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-[(4-chlorophenyl)diazenyl]-5-cyclopropyl-1H-pyrazol-3-amine
CID 2818928
6-amino-5-[(2-chlorophenyl)diazenyl]-1H-pyrimidine-2,4-dione
CID 3650612
4-[(3-chloro-2-methylphenyl)diazenyl]-5-(4-methylphenyl)-1H-pyrazol-3-amine
CID 135505341
5-cyclopropyl-4-pyridin-2-yl-1H-pyrazol-3-amine
CID 80521158
5-amino-4-[(2-chlorophenyl)diazenyl]-1,2-dihydropyrazol-3-one
CID 137279213
4-(naphthalen-1-yldiazenyl)-1H-pyrazole-3,5-diamine
CID 135510724
4-(1,3-benzothiazol-2-yl)-5-cyclopropyl-1H-pyrazol-3-amine
CID 162259948
4-amino-N-(2-chlorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 62077128
4-[(5-chloro-2-fluorophenyl)diazenyl]-1H-pyrazole-3,5-diamine
CID 135525489
4-amino-5-cyclopropyl-N-(2,6-dichlorophenyl)-1H-pyrazole-3-carboxamide
CID 65467132
4-(3-chlorophenyl)-5-cycloheptyl-1H-pyrazol-3-amine
CID 63525557
[(1R,3S)-3-[[2-amino-6-chloro-5-[(2-chlorophenyl)diazenyl]pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 88884061

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)diazenyl]-5-cyclopropyl-1H-pyrazol-3-amine?
The IUPAC name of 4-[(2-chlorophenyl)diazenyl]-5-cyclopropyl-1H-pyrazol-3-amine (CID 2818916) is 4-[(2-chlorophenyl)diazenyl]-5-cyclopropyl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-[(2-chlorophenyl)diazenyl]-5-cyclopropyl-1H-pyrazol-3-amine?
The canonical SMILES for 4-[(2-chlorophenyl)diazenyl]-5-cyclopropyl-1H-pyrazol-3-amine is Nc1n[nH]c(C2CC2)c1/N=N/c1ccccc1Cl.
What is the InChIKey of 4-[(2-chlorophenyl)diazenyl]-5-cyclopropyl-1H-pyrazol-3-amine?
The InChIKey is LHIPSNFVGAVHHV-BMRADRMJSA-N. The full InChI is InChI=1S/C12H12ClN5/c13-8-3-1-2-4-9(8)15-17-11-10(7-5-6-7)16-18-12(11)14/h1-4,7H,5-6H2,(H3,14,16,18)/b17-15+.
What are the key properties of 4-[(2-chlorophenyl)diazenyl]-5-cyclopropyl-1H-pyrazol-3-amine?
4-[(2-chlorophenyl)diazenyl]-5-cyclopropyl-1H-pyrazol-3-amine has a molecular weight of 261.72 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)diazenyl]-5-cyclopropyl-1H-pyrazol-3-amine is sourced from PubChem (CID 2818916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).