2-(2-chlorophenyl)-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine

C17H24ClN3 — CID 64785838

IUPAC2-(2-chlorophenyl)-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
SMILESCCC(CC)n1ccc(CC(C)(N)c2ccccc2Cl)n1
InChIInChI=1S/C17H24ClN3/c1-4-14(5-2)21-11-10-13(20-21)12-17(3,19)15-8-6-7-9-16(15)18/h6-11,14H,4-5,12,19H2,1-3H3
InChIKeyGNWCFSXSIJPCIS-UHFFFAOYSA-N
MW305.85 g/mol
LogP4.31
Rot. Bonds6

About 2-(2-chlorophenyl)-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine

2-(2-chlorophenyl)-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine (PubChem CID 64785838) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
PubChem CID64785838
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC Name2-(2-chlorophenyl)-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
SMILESCCC(CC)n1ccc(CC(C)(N)c2ccccc2Cl)n1
InChIInChI=1S/C17H24ClN3/c1-4-14(5-2)21-11-10-13(20-21)12-17(3,19)15-8-6-7-9-16(15)18/h6-11,14H,4-5,12,19H2,1-3H3
InChIKeyGNWCFSXSIJPCIS-UHFFFAOYSA-N
XLogP4.31
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 64786032
2-(2-bromophenyl)-1-(1-butan-2-ylpyrazol-3-yl)propan-2-amine
CID 64783132
1-(1-butan-2-ylpyrazol-3-yl)-2-(2-methylphenyl)propan-2-amine
CID 64784290
2-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine
CID 64779874
2-methyl-1-(1-pentan-3-ylpyrazol-3-yl)heptan-2-ol
CID 80557979
2-ethyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine
CID 64779471
1-(2-chlorophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one
CID 64783360
2-(2,4-dichloro-5-fluorophenyl)-1-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 64772421
6,6,6-trifluoro-2-methyl-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-ol
CID 116535858
3-(4-bromo-2,2-dimethylpentyl)-1-pentan-3-ylpyrazole
CID 64778970
1-(1-butan-2-ylpyrazol-3-yl)-2-(2,5-dimethylphenyl)propan-2-amine
CID 64785649
2-(2-chlorophenyl)-1-(4-chlorophenyl)propan-2-amine
CID 60797835

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine?
The IUPAC name of 2-(2-chlorophenyl)-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine (CID 64785838) is 2-(2-chlorophenyl)-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine?
The canonical SMILES for 2-(2-chlorophenyl)-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine is CCC(CC)n1ccc(CC(C)(N)c2ccccc2Cl)n1.
What is the InChIKey of 2-(2-chlorophenyl)-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine?
The InChIKey is GNWCFSXSIJPCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3/c1-4-14(5-2)21-11-10-13(20-21)12-17(3,19)15-8-6-7-9-16(15)18/h6-11,14H,4-5,12,19H2,1-3H3.
What are the key properties of 2-(2-chlorophenyl)-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine?
2-(2-chlorophenyl)-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine has a molecular weight of 305.85 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine is sourced from PubChem (CID 64785838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).