1-(2-chloro-4-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide

C19H18ClN5O2 — CID 73442391

IUPAC1-(2-chloro-4-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2ccnc(Cl)c2)c1
InChIInChI=1S/C19H18ClN5O2/c20-18-9-16(5-6-22-18)25-12-14(10-23-25)19(26)24-15-3-1-13(2-4-15)17-11-21-7-8-27-17/h1-6,9-10,12,17,21H,7-8,11H2,(H,24,26)/t17-/m1/s1
InChIKeyXJCHSLKRYPKJPY-QGZVFWFLSA-N
MW383.84 g/mol
LogP2.83
Rot. Bonds4

About 1-(2-chloro-4-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide

1-(2-chloro-4-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide (PubChem CID 73442391) has the molecular formula C19H18ClN5O2 and a molecular weight of 383.84 g/mol. Its IUPAC name is 1-(2-chloro-4-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-chloro-4-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
PubChem CID73442391
Molecular FormulaC19H18ClN5O2
Molecular Weight383.84 g/mol
Exact Mass383.11
IUPAC Name1-(2-chloro-4-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2ccnc(Cl)c2)c1
InChIInChI=1S/C19H18ClN5O2/c20-18-9-16(5-6-22-18)25-12-14(10-23-25)19(26)24-15-3-1-13(2-4-15)17-11-21-7-8-27-17/h1-6,9-10,12,17,21H,7-8,11H2,(H,24,26)/t17-/m1/s1
InChIKeyXJCHSLKRYPKJPY-QGZVFWFLSA-N
XLogP2.83
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-(2-chloro-4-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide 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

N-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(difluoromethoxy)phenyl]pyrazole-4-carboxamide
CID 71086750
N-[3-chloro-4-[(2R)-morpholin-2-yl]phenyl]-1-[4-(difluoromethoxy)phenyl]pyrazole-4-carboxamide
CID 71086795
1-(5-chloro-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
CID 71087663
2-(4-chlorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide
CID 73425669
2-(3-chlorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide
CID 73425777
1-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 73442099
6-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide
CID 56836054
6-chloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide
CID 58315625
6-chloro-N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]pyridine-3-carboxamide
CID 58315672
5-chloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide
CID 67239276
1-(4-cyano-2-fluorophenyl)-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 71086724
N-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 71086791

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(2-chloro-4-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide (CID 73442391) is 1-(2-chloro-4-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-chloro-4-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-chloro-4-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide is O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2ccnc(Cl)c2)c1.
What is the InChIKey of 1-(2-chloro-4-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
The InChIKey is XJCHSLKRYPKJPY-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H18ClN5O2/c20-18-9-16(5-6-22-18)25-12-14(10-23-25)19(26)24-15-3-1-13(2-4-15)17-11-21-7-8-27-17/h1-6,9-10,12,17,21H,7-8,11H2,(H,24,26)/t17-/m1/s1.
What are the key properties of 1-(2-chloro-4-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
1-(2-chloro-4-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide has a molecular weight of 383.84 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 73442391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).