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

C12H14ClN3 — CID 83850813

IUPAC2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]propan-2-amine
SMILESCC(C)(N)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C12H14ClN3/c1-12(2,14)11-7-10(15-16-11)8-3-5-9(13)6-4-8/h3-7H,14H2,1-2H3,(H,15,16)
InChIKeyLIYHYTPIRLVVSL-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.92
Rot. Bonds2

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

2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]propan-2-amine (PubChem CID 83850813) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]propan-2-amine
PubChem CID83850813
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]propan-2-amine
SMILESCC(C)(N)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C12H14ClN3/c1-12(2,14)11-7-10(15-16-11)8-3-5-9(13)6-4-8/h3-7H,14H2,1-2H3,(H,15,16)
InChIKeyLIYHYTPIRLVVSL-UHFFFAOYSA-N
XLogP2.92
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]propan-2-amine
CID 83849137
2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]propan-2-amine
CID 83850457
1,1-bis[3-(4-chlorophenyl)-1H-pyrazol-5-yl]ethane-1,2-diamine
CID 68667695
5-(2-aminopropan-2-yl)-3-(4-chlorophenyl)-1H-pyridazin-6-one
CID 82445739
3-(4-chlorophenyl)-5-ethyl-1H-pyrazole
CID 123618516
N-(1-amino-2-methylpropan-2-yl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 119521772
3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]butan-2-ol
CID 14568874
1,1-bis[3-(4-fluorophenyl)-1H-pyrazol-5-yl]ethane-1,2-diamine;dihydrochloride
CID 68667830
5-[difluoro-(3-phenyl-1H-pyrazol-5-yl)methyl]-3-phenyl-1H-pyrazole
CID 12640729
1-tert-butyl-5-(4-chlorophenyl)-3-phenylpyrazole
CID 71661394
N-(2-aminophenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 90908320
5-(5-amino-1,3,4-thiadiazol-2-yl)-3-(4-chlorophenyl)-1H-pyridazin-6-one
CID 82445741

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]propan-2-amine?
The IUPAC name of 2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]propan-2-amine (CID 83850813) is 2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]propan-2-amine.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]propan-2-amine?
The canonical SMILES for 2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]propan-2-amine is CC(C)(N)c1cc(-c2ccc(Cl)cc2)n[nH]1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]propan-2-amine?
The InChIKey is LIYHYTPIRLVVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-12(2,14)11-7-10(15-16-11)8-3-5-9(13)6-4-8/h3-7H,14H2,1-2H3,(H,15,16).
What are the key properties of 2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]propan-2-amine?
2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]propan-2-amine has a molecular weight of 235.72 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]propan-2-amine is sourced from PubChem (CID 83850813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).