1-(4-chlorophenyl)-3-propan-2-ylpyrazol-5-amine

C12H14ClN3 — CID 43381271

IUPAC1-(4-chlorophenyl)-3-propan-2-ylpyrazol-5-amine
SMILESCC(C)c1cc(N)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C12H14ClN3/c1-8(2)11-7-12(14)16(15-11)10-5-3-9(13)4-6-10/h3-8H,14H2,1-2H3
InChIKeyQBEPCGKKGUMQHD-UHFFFAOYSA-N
MW235.72 g/mol
LogP3.23
Rot. Bonds2

About 1-(4-chlorophenyl)-3-propan-2-ylpyrazol-5-amine

1-(4-chlorophenyl)-3-propan-2-ylpyrazol-5-amine (PubChem CID 43381271) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-propan-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-propan-2-ylpyrazol-5-amine
PubChem CID43381271
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name1-(4-chlorophenyl)-3-propan-2-ylpyrazol-5-amine
SMILESCC(C)c1cc(N)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C12H14ClN3/c1-8(2)11-7-12(14)16(15-11)10-5-3-9(13)4-6-10/h3-8H,14H2,1-2H3
InChIKeyQBEPCGKKGUMQHD-UHFFFAOYSA-N
XLogP3.23
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-3-propan-2-ylpyrazol-5-amine
CID 43381361
1-(4-chlorophenyl)-3-propan-2-ylpyrazole-5-sulfonyl chloride
CID 55071003
ethyl 4-(5-amino-3-propan-2-ylpyrazol-1-yl)benzoate
CID 58945244
1-(4-chlorophenyl)-3-propylpyrazol-5-amine
CID 82083521
1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-amine
CID 86711514
3-propan-2-yl-1-quinolin-6-ylpyrazol-5-amine
CID 67254757
2-chloro-4-[1-(4-chlorophenyl)-3-propan-2-ylpyrazol-5-yl]phenol
CID 137065942
3-propan-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 43381303
1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazol-5-amine
CID 82092796
3-(4-chlorophenyl)-5-propan-2-yltriazol-4-amine
CID 105498545
1-(4-chlorophenyl)-3-(2-methylfuran-3-yl)pyrazol-5-amine
CID 43381280
4-[5-(4-chlorophenyl)-3-(difluoromethyl)pyrazol-1-yl]aniline
CID 70336206

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-propan-2-ylpyrazol-5-amine?
The IUPAC name of 1-(4-chlorophenyl)-3-propan-2-ylpyrazol-5-amine (CID 43381271) is 1-(4-chlorophenyl)-3-propan-2-ylpyrazol-5-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-3-propan-2-ylpyrazol-5-amine?
The canonical SMILES for 1-(4-chlorophenyl)-3-propan-2-ylpyrazol-5-amine is CC(C)c1cc(N)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-3-propan-2-ylpyrazol-5-amine?
The InChIKey is QBEPCGKKGUMQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-8(2)11-7-12(14)16(15-11)10-5-3-9(13)4-6-10/h3-8H,14H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-3-propan-2-ylpyrazol-5-amine?
1-(4-chlorophenyl)-3-propan-2-ylpyrazol-5-amine has a molecular weight of 235.72 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-propan-2-ylpyrazol-5-amine is sourced from PubChem (CID 43381271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).