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

C12H14ClN3 — CID 84797894

IUPAC1-[5-(3-chlorophenyl)pyrazol-1-yl]propan-2-amine
SMILESCC(N)Cn1nccc1-c1cccc(Cl)c1
InChIInChI=1S/C12H14ClN3/c1-9(14)8-16-12(5-6-15-16)10-3-2-4-11(13)7-10/h2-7,9H,8,14H2,1H3
InChIKeyQDNWCUNXIFEXRK-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.55
Rot. Bonds3

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

1-[5-(3-chlorophenyl)pyrazol-1-yl]propan-2-amine (PubChem CID 84797894) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 1-[5-(3-chlorophenyl)pyrazol-1-yl]propan-2-amine.

Molecular Properties

Compound Name1-[5-(3-chlorophenyl)pyrazol-1-yl]propan-2-amine
PubChem CID84797894
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name1-[5-(3-chlorophenyl)pyrazol-1-yl]propan-2-amine
SMILESCC(N)Cn1nccc1-c1cccc(Cl)c1
InChIInChI=1S/C12H14ClN3/c1-9(14)8-16-12(5-6-15-16)10-3-2-4-11(13)7-10/h2-7,9H,8,14H2,1H3
InChIKeyQDNWCUNXIFEXRK-UHFFFAOYSA-N
XLogP2.55
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-2-(5-pyridin-4-ylpyrazol-1-yl)ethanol
CID 75389470
1-[5-(3-chlorophenyl)-1-methylpyrazol-3-yl]ethanamine
CID 105497241
5-[1-(3-chlorophenoxy)ethyl]-3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
CID 53012119
1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]propan-2-amine
CID 84700432
5-(3-chlorophenyl)-1-ethylpyrazol-3-amine
CID 105478672
2-(3-chlorophenyl)-1-(2-ethylpyrazol-3-yl)ethanamine
CID 63976359
3-(3-chlorophenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115395591
1-[5-(3-chlorophenyl)-1-methylpyrazol-4-yl]ethanamine
CID 105497256
1-[4-(3-chlorophenyl)phenyl]ethanamine
CID 43826632
1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 43152100
1-[4-(3-chlorophenyl)-1,2-oxazol-3-yl]ethanamine
CID 105423393
2-chloro-5-(3-chlorophenyl)-1-methylimidazole
CID 117259913

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-chlorophenyl)pyrazol-1-yl]propan-2-amine?
The IUPAC name of 1-[5-(3-chlorophenyl)pyrazol-1-yl]propan-2-amine (CID 84797894) is 1-[5-(3-chlorophenyl)pyrazol-1-yl]propan-2-amine.
What is the SMILES notation for 1-[5-(3-chlorophenyl)pyrazol-1-yl]propan-2-amine?
The canonical SMILES for 1-[5-(3-chlorophenyl)pyrazol-1-yl]propan-2-amine is CC(N)Cn1nccc1-c1cccc(Cl)c1.
What is the InChIKey of 1-[5-(3-chlorophenyl)pyrazol-1-yl]propan-2-amine?
The InChIKey is QDNWCUNXIFEXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-9(14)8-16-12(5-6-15-16)10-3-2-4-11(13)7-10/h2-7,9H,8,14H2,1H3.
What are the key properties of 1-[5-(3-chlorophenyl)pyrazol-1-yl]propan-2-amine?
1-[5-(3-chlorophenyl)pyrazol-1-yl]propan-2-amine has a molecular weight of 235.72 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-chlorophenyl)pyrazol-1-yl]propan-2-amine is sourced from PubChem (CID 84797894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).