1-(2-chlorophenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine

C15H20ClN3 — CID 114554830

IUPAC1-(2-chlorophenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
SMILESCCCn1nccc1CNC(C)c1ccccc1Cl
InChIInChI=1S/C15H20ClN3/c1-3-10-19-13(8-9-18-19)11-17-12(2)14-6-4-5-7-15(14)16/h4-9,12,17H,3,10-11H2,1-2H3
InChIKeyGGRQFKATGDKVJE-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.80
Rot. Bonds6

About 1-(2-chlorophenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine

1-(2-chlorophenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine (PubChem CID 114554830) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
PubChem CID114554830
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name1-(2-chlorophenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
SMILESCCCn1nccc1CNC(C)c1ccccc1Cl
InChIInChI=1S/C15H20ClN3/c1-3-10-19-13(8-9-18-19)11-17-12(2)14-6-4-5-7-15(14)16/h4-9,12,17H,3,10-11H2,1-2H3
InChIKeyGGRQFKATGDKVJE-UHFFFAOYSA-N
XLogP3.80
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-chlorophenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114986059
(1R)-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114986058
(1R)-1-(2-chlorophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 81377729
(1R)-N-[(2-ethylpyrazol-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 104939439
3-methyl-N-[(2-propylpyrazol-3-yl)methyl]pentan-2-amine
CID 114555629
3-[1-[(2-propylpyrazol-3-yl)methylamino]ethyl]phenol
CID 114555438
1-(2-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 62997890
1-(4-methoxyphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114555894
(1S)-1-(2-chlorophenyl)-N-[(1,3-diethylpyrazol-5-yl)methyl]ethanamine
CID 81378307
4-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
CID 114555939
N-[(2-propylpyrazol-3-yl)methyl]hydroxylamine
CID 114556004
4-methyl-N-[(2-propylpyrazol-3-yl)methyl]hexan-2-amine
CID 114555867

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of 1-(2-chlorophenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine (CID 114554830) is 1-(2-chlorophenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine is CCCn1nccc1CNC(C)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is GGRQFKATGDKVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-3-10-19-13(8-9-18-19)11-17-12(2)14-6-4-5-7-15(14)16/h4-9,12,17H,3,10-11H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine?
1-(2-chlorophenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 277.80 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 114554830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).