4-(3-chlorophenyl)-3-cyclopropyl-1-methylpyrazol-5-amine

C13H14ClN3 — CID 43158522

IUPAC4-(3-chlorophenyl)-3-cyclopropyl-1-methylpyrazol-5-amine
SMILESCn1nc(C2CC2)c(-c2cccc(Cl)c2)c1N
InChIInChI=1S/C13H14ClN3/c1-17-13(15)11(12(16-17)8-5-6-8)9-3-2-4-10(14)7-9/h2-4,7-8H,5-6,15H2,1H3
InChIKeyCQCQVALLBOHDCS-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.20
Rot. Bonds2

About 4-(3-chlorophenyl)-3-cyclopropyl-1-methylpyrazol-5-amine

4-(3-chlorophenyl)-3-cyclopropyl-1-methylpyrazol-5-amine (PubChem CID 43158522) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-3-cyclopropyl-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-3-cyclopropyl-1-methylpyrazol-5-amine
PubChem CID43158522
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name4-(3-chlorophenyl)-3-cyclopropyl-1-methylpyrazol-5-amine
SMILESCn1nc(C2CC2)c(-c2cccc(Cl)c2)c1N
InChIInChI=1S/C13H14ClN3/c1-17-13(15)11(12(16-17)8-5-6-8)9-3-2-4-10(14)7-9/h2-4,7-8H,5-6,15H2,1H3
InChIKeyCQCQVALLBOHDCS-UHFFFAOYSA-N
XLogP3.20
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclobutyl-4-(3-methoxyphenyl)-1-methylpyrazol-5-amine
CID 61263855
4-(3-chlorophenyl)-3-(1-cyclopropylethyl)-1-methylpyrazol-5-amine
CID 83154614
3-cyclopropyl-1-methyl-4-pyridin-4-ylpyrazol-5-amine
CID 80524510
4-(3-chlorophenyl)-3-(4-chlorophenyl)-1-methylpyrazol-5-amine
CID 43158527
4-(3-methoxyphenyl)-1-methyl-3-(oxan-4-yl)pyrazol-5-amine
CID 62906563
3-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-5-amine
CID 43336723
4-(3-chlorophenyl)-3-[(dimethylamino)methyl]-1-methylpyrazol-5-amine
CID 83813957
4-(3-chlorophenyl)-1-methyl-3-pentan-2-ylpyrazol-5-amine
CID 43336306
3-(5-bromofuran-2-yl)-4-(3-chlorophenyl)-1-methylpyrazol-5-amine
CID 43336312
4-(3-chlorophenyl)-3-(4-methoxythiophen-2-yl)-1-methylpyrazol-5-amine
CID 81122516
1-methyl-4-(4-methylphenyl)-3-(oxan-4-yl)pyrazol-5-amine
CID 62907594
5-[5-amino-4-(3-chlorophenyl)-1-methylpyrazol-3-yl]-1H-pyridin-2-one
CID 136710573

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-3-cyclopropyl-1-methylpyrazol-5-amine?
The IUPAC name of 4-(3-chlorophenyl)-3-cyclopropyl-1-methylpyrazol-5-amine (CID 43158522) is 4-(3-chlorophenyl)-3-cyclopropyl-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-3-cyclopropyl-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(3-chlorophenyl)-3-cyclopropyl-1-methylpyrazol-5-amine is Cn1nc(C2CC2)c(-c2cccc(Cl)c2)c1N.
What is the InChIKey of 4-(3-chlorophenyl)-3-cyclopropyl-1-methylpyrazol-5-amine?
The InChIKey is CQCQVALLBOHDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-17-13(15)11(12(16-17)8-5-6-8)9-3-2-4-10(14)7-9/h2-4,7-8H,5-6,15H2,1H3.
What are the key properties of 4-(3-chlorophenyl)-3-cyclopropyl-1-methylpyrazol-5-amine?
4-(3-chlorophenyl)-3-cyclopropyl-1-methylpyrazol-5-amine has a molecular weight of 247.73 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-3-cyclopropyl-1-methylpyrazol-5-amine is sourced from PubChem (CID 43158522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).