(1S)-1-(3-chlorophenyl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-pyridin-3-ylethanamine

C24H23ClN4 — CID 171358941

IUPAC(1S)-1-(3-chlorophenyl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-pyridin-3-ylethanamine
SMILESCn1cc(-c2cccc(CN[C@@H](Cc3cccnc3)c3cccc(Cl)c3)c2)cn1
InChIInChI=1S/C24H23ClN4/c1-29-17-22(16-28-29)20-7-2-5-18(11-20)15-27-24(12-19-6-4-10-26-14-19)21-8-3-9-23(25)13-21/h2-11,13-14,16-17,24,27H,12,15H2,1H3/t24-/m0/s1
InChIKeyOLNVGZAKPYITOB-DEOSSOPVSA-N
MW402.93 g/mol
LogP5.21
Rot. Bonds7

About (1S)-1-(3-chlorophenyl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-pyridin-3-ylethanamine

(1S)-1-(3-chlorophenyl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-pyridin-3-ylethanamine (PubChem CID 171358941) has the molecular formula C24H23ClN4 and a molecular weight of 402.93 g/mol. Its IUPAC name is (1S)-1-(3-chlorophenyl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-pyridin-3-ylethanamine.

Molecular Properties

Compound Name(1S)-1-(3-chlorophenyl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-pyridin-3-ylethanamine
PubChem CID171358941
Molecular FormulaC24H23ClN4
Molecular Weight402.93 g/mol
Exact Mass402.16
IUPAC Name(1S)-1-(3-chlorophenyl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-pyridin-3-ylethanamine
SMILESCn1cc(-c2cccc(CN[C@@H](Cc3cccnc3)c3cccc(Cl)c3)c2)cn1
InChIInChI=1S/C24H23ClN4/c1-29-17-22(16-28-29)20-7-2-5-18(11-20)15-27-24(12-19-6-4-10-26-14-19)21-8-3-9-23(25)13-21/h2-11,13-14,16-17,24,27H,12,15H2,1H3/t24-/m0/s1
InChIKeyOLNVGZAKPYITOB-DEOSSOPVSA-N
XLogP5.21
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.93
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-1-(3-chlorophenyl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-pyridin-3-ylethanamine with MolForge

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Related Compounds

Arylpyrazole, 14
CID 44143414
Arylpyrazole, 15
CID 44143415
1-(3-Chloro-benzyl)-4-(3-methyl-4-phenyl-pyrazol-1-yl)-piperidine
CID 12052258
1-(3-Chloro-benzyl)-4-(5-methyl-4-phenyl-pyrazol-1-yl)-piperidine
CID 21219164
4-(3-(3-chlorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl)pyridine
CID 22037400
4-(3-(4-chlorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl)pyridine
CID 22037512
4-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 51588297
1-[3-(3-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]-N-methyl-N-[(3-methylpyridin-4-yl)methyl]methanamine
CID 16187592
N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)-4-pyrazolyl]methyl]-2-(2-pyridinyl)ethanamine
CID 16188430
1-{[3-(3-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-(2,6-dimethyl-4-pyridinyl)piperazine
CID 16189824
N-{[3-(3-methylphenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}-1-pyrazin-2-ylpropan-2-amine
CID 16190294
1-[3-(3-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 16192055

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-chlorophenyl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-pyridin-3-ylethanamine?
The IUPAC name of (1S)-1-(3-chlorophenyl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-pyridin-3-ylethanamine (CID 171358941) is (1S)-1-(3-chlorophenyl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-pyridin-3-ylethanamine.
What is the SMILES notation for (1S)-1-(3-chlorophenyl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-pyridin-3-ylethanamine?
The canonical SMILES for (1S)-1-(3-chlorophenyl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-pyridin-3-ylethanamine is Cn1cc(-c2cccc(CN[C@@H](Cc3cccnc3)c3cccc(Cl)c3)c2)cn1.
What is the InChIKey of (1S)-1-(3-chlorophenyl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-pyridin-3-ylethanamine?
The InChIKey is OLNVGZAKPYITOB-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H23ClN4/c1-29-17-22(16-28-29)20-7-2-5-18(11-20)15-27-24(12-19-6-4-10-26-14-19)21-8-3-9-23(25)13-21/h2-11,13-14,16-17,24,27H,12,15H2,1H3/t24-/m0/s1.
What are the key properties of (1S)-1-(3-chlorophenyl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-pyridin-3-ylethanamine?
(1S)-1-(3-chlorophenyl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-pyridin-3-ylethanamine has a molecular weight of 402.93 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-chlorophenyl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-pyridin-3-ylethanamine is sourced from PubChem (CID 171358941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).