(2S)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]morpholine-2-carboxamide

C15H17ClN4O2 — CID 124697076

IUPAC(2S)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]morpholine-2-carboxamide
SMILESO=C(Nc1ccnn1Cc1ccc(Cl)cc1)[C@@H]1CNCCO1
InChIInChI=1S/C15H17ClN4O2/c16-12-3-1-11(2-4-12)10-20-14(5-6-18-20)19-15(21)13-9-17-7-8-22-13/h1-6,13,17H,7-10H2,(H,19,21)/t13-/m0/s1
InChIKeyINXGZTRHXGWGRZ-ZDUSSCGKSA-N
MW320.78 g/mol
LogP1.51
Rot. Bonds4

About (2S)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]morpholine-2-carboxamide

(2S)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]morpholine-2-carboxamide (PubChem CID 124697076) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is (2S)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]morpholine-2-carboxamide
PubChem CID124697076
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC Name(2S)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]morpholine-2-carboxamide
SMILESO=C(Nc1ccnn1Cc1ccc(Cl)cc1)[C@@H]1CNCCO1
InChIInChI=1S/C15H17ClN4O2/c16-12-3-1-11(2-4-12)10-20-14(5-6-18-20)19-15(21)13-9-17-7-8-22-13/h1-6,13,17H,7-10H2,(H,19,21)/t13-/m0/s1
InChIKeyINXGZTRHXGWGRZ-ZDUSSCGKSA-N
XLogP1.51
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]piperidine-3-carboxamide
CID 119321823
N-(2-chloropyrimidin-4-yl)morpholine-2-carboxamide
CID 116795126
N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide
CID 119727025
4,5-dichloro-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1H-pyrrole-2-carboxamide
CID 78833536
N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 46616697
N-(2-bromo-4-chlorophenyl)morpholine-2-carboxamide
CID 81263696
N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]naphthalene-2-carboxamide
CID 26725865
N-(4-chloro-2-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119671690
cis-(1R,2S)-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-methylcyclopropane-1-carboxamide
CID 40972650
N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 55667829
N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide
CID 119687344
N-(1,2-oxazol-3-yl)morpholine-2-carboxamide
CID 62903772

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]morpholine-2-carboxamide?
The IUPAC name of (2S)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]morpholine-2-carboxamide (CID 124697076) is (2S)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]morpholine-2-carboxamide is O=C(Nc1ccnn1Cc1ccc(Cl)cc1)[C@@H]1CNCCO1.
What is the InChIKey of (2S)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]morpholine-2-carboxamide?
The InChIKey is INXGZTRHXGWGRZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H17ClN4O2/c16-12-3-1-11(2-4-12)10-20-14(5-6-18-20)19-15(21)13-9-17-7-8-22-13/h1-6,13,17H,7-10H2,(H,19,21)/t13-/m0/s1.
What are the key properties of (2S)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]morpholine-2-carboxamide?
(2S)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]morpholine-2-carboxamide has a molecular weight of 320.78 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]morpholine-2-carboxamide is sourced from PubChem (CID 124697076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).