(1S)-1-(4-methylphenyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine

C18H27N3 — CID 81349612

IUPAC(1S)-1-(4-methylphenyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine
SMILESCCC(CC)n1ccc(CN[C@@H](C)c2ccc(C)cc2)n1
InChIInChI=1S/C18H27N3/c1-5-18(6-2)21-12-11-17(20-21)13-19-15(4)16-9-7-14(3)8-10-16/h7-12,15,18-19H,5-6,13H2,1-4H3/t15-/m0/s1
InChIKeyMWBLBGAQAIAHID-HNNXBMFYSA-N
MW285.44 g/mol
LogP4.40
Rot. Bonds7

About (1S)-1-(4-methylphenyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine

(1S)-1-(4-methylphenyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine (PubChem CID 81349612) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is (1S)-1-(4-methylphenyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-methylphenyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine
PubChem CID81349612
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name(1S)-1-(4-methylphenyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine
SMILESCCC(CC)n1ccc(CN[C@@H](C)c2ccc(C)cc2)n1
InChIInChI=1S/C18H27N3/c1-5-18(6-2)21-12-11-17(20-21)13-19-15(4)16-9-7-14(3)8-10-16/h7-12,15,18-19H,5-6,13H2,1-4H3/t15-/m0/s1
InChIKeyMWBLBGAQAIAHID-HNNXBMFYSA-N
XLogP4.40
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-1-(4-methylphenyl)-N-[(1-pentan-3-ylpyrazol-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)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1-phenylethanamine
CID 79001167
(1R)-1-(3-chlorophenyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine
CID 81362448
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-(4-chlorophenyl)ethanamine
CID 64799716
(1R)-1-(4-bromophenyl)-N-[(1-butan-2-ylpyrazol-3-yl)methyl]ethanamine
CID 81359149
3-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-amine
CID 64801245
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 64799138
1-(5-chlorothiophen-2-yl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine
CID 64800287
N-[(1-pentan-3-ylpyrazol-3-yl)methyl]hexan-3-amine
CID 64799152
1,1-dicyclopropyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]methanamine
CID 64800483
N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pent-1-yn-3-amine
CID 114161157
methyl 2-[(1-pentan-3-ylpyrazol-3-yl)methylamino]propanoate
CID 64801059
2,4-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline
CID 64800231

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methylphenyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-(4-methylphenyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine (CID 81349612) is (1S)-1-(4-methylphenyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(4-methylphenyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(4-methylphenyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine is CCC(CC)n1ccc(CN[C@@H](C)c2ccc(C)cc2)n1.
What is the InChIKey of (1S)-1-(4-methylphenyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is MWBLBGAQAIAHID-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H27N3/c1-5-18(6-2)21-12-11-17(20-21)13-19-15(4)16-9-7-14(3)8-10-16/h7-12,15,18-19H,5-6,13H2,1-4H3/t15-/m0/s1.
What are the key properties of (1S)-1-(4-methylphenyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine?
(1S)-1-(4-methylphenyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 285.44 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-methylphenyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 81349612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).