(1S)-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-pyridin-2-ylethanamine

C17H17ClN4 — CID 94193067

IUPAC(1S)-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-pyridin-2-ylethanamine
SMILESC[C@H](NCc1cnn(-c2ccc(Cl)cc2)c1)c1ccccn1
InChIInChI=1S/C17H17ClN4/c1-13(17-4-2-3-9-19-17)20-10-14-11-21-22(12-14)16-7-5-15(18)6-8-16/h2-9,11-13,20H,10H2,1H3/t13-/m0/s1
InChIKeyBSUNDJGHAJTPRZ-ZDUSSCGKSA-N
MW312.80 g/mol
LogP3.77
Rot. Bonds5

About (1S)-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-pyridin-2-ylethanamine

(1S)-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-pyridin-2-ylethanamine (PubChem CID 94193067) has the molecular formula C17H17ClN4 and a molecular weight of 312.80 g/mol. Its IUPAC name is (1S)-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-pyridin-2-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-pyridin-2-ylethanamine
PubChem CID94193067
Molecular FormulaC17H17ClN4
Molecular Weight312.80 g/mol
Exact Mass312.11
IUPAC Name(1S)-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-pyridin-2-ylethanamine
SMILESC[C@H](NCc1cnn(-c2ccc(Cl)cc2)c1)c1ccccn1
InChIInChI=1S/C17H17ClN4/c1-13(17-4-2-3-9-19-17)20-10-14-11-21-22(12-14)16-7-5-15(18)6-8-16/h2-9,11-13,20H,10H2,1H3/t13-/m0/s1
InChIKeyBSUNDJGHAJTPRZ-ZDUSSCGKSA-N
XLogP3.77
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-pyridin-2-ylethanamine 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

(1R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 81402195
(1S)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 78978020
N-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine
CID 43181276
(1S)-N-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine
CID 28647738
(1R)-1-pyridin-2-yl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 81402120
N-[(1-pyridin-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 61272105
4-[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]-3-methylbutan-1-ol
CID 111469646
3-[[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine
CID 51086144
(1S)-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethanamine
CID 42525871
(1R)-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethanamine
CID 42525869
1-pyridin-2-yl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine
CID 63051180
(1R)-N-[(4-chloro-2-methylphenyl)methyl]-1-pyridin-2-ylethanamine
CID 104868538

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-pyridin-2-ylethanamine?
The IUPAC name of (1S)-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-pyridin-2-ylethanamine (CID 94193067) is (1S)-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-pyridin-2-ylethanamine.
What is the SMILES notation for (1S)-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-pyridin-2-ylethanamine?
The canonical SMILES for (1S)-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-pyridin-2-ylethanamine is C[C@H](NCc1cnn(-c2ccc(Cl)cc2)c1)c1ccccn1.
What is the InChIKey of (1S)-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-pyridin-2-ylethanamine?
The InChIKey is BSUNDJGHAJTPRZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H17ClN4/c1-13(17-4-2-3-9-19-17)20-10-14-11-21-22(12-14)16-7-5-15(18)6-8-16/h2-9,11-13,20H,10H2,1H3/t13-/m0/s1.
What are the key properties of (1S)-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-pyridin-2-ylethanamine?
(1S)-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-pyridin-2-ylethanamine has a molecular weight of 312.80 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-pyridin-2-ylethanamine is sourced from PubChem (CID 94193067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).