N-(3-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazole-1-carboxamide

C15H15ClN4O3 — CID 671243

IUPACN-(3-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazole-1-carboxamide
SMILESO=C(c1ccn(C(=O)Nc2cccc(Cl)c2)n1)N1CCOCC1
InChIInChI=1S/C15H15ClN4O3/c16-11-2-1-3-12(10-11)17-15(22)20-5-4-13(18-20)14(21)19-6-8-23-9-7-19/h1-5,10H,6-9H2,(H,17,22)
InChIKeyPWUVXJUDJHRGDB-UHFFFAOYSA-N
MW334.76 g/mol
LogP2.09
Rot. Bonds2

About N-(3-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazole-1-carboxamide

N-(3-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazole-1-carboxamide (PubChem CID 671243) has the molecular formula C15H15ClN4O3 and a molecular weight of 334.76 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazole-1-carboxamide
PubChem CID671243
Molecular FormulaC15H15ClN4O3
Molecular Weight334.76 g/mol
Exact Mass334.08
IUPAC NameN-(3-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazole-1-carboxamide
SMILESO=C(c1ccn(C(=O)Nc2cccc(Cl)c2)n1)N1CCOCC1
InChIInChI=1S/C15H15ClN4O3/c16-11-2-1-3-12(10-11)17-15(22)20-5-4-13(18-20)14(21)19-6-8-23-9-7-19/h1-5,10H,6-9H2,(H,17,22)
InChIKeyPWUVXJUDJHRGDB-UHFFFAOYSA-N
XLogP2.09
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-3-(morpholine-4-carbonyl)pyrazole-1-carboxamide
CID 5348323
N-(3-chlorophenyl)-3-morpholin-4-yl-3-oxopropanamide
CID 108943524
N-(3-chlorophenyl)-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
CID 109103815
N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide
CID 171576986
N-(3-chlorophenyl)-2-[3-(morpholine-4-carbonyl)indazol-1-yl]acetamide
CID 46378667
(2S)-N-(3-chlorophenyl)-2-(morpholin-4-ylmethyl)morpholine-4-carboxamide
CID 92987988
2-(3-chloroanilino)-1-morpholin-4-ylethanone
CID 28580621
[5-[2-(3-chlorophenyl)ethylamino]-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184630
N-(3-chlorophenyl)-4-(1-methyl-5-phenylpyrazole-3-carbonyl)piperazine-1-carboxamide
CID 164898192
N-(3-acetamidophenyl)morpholine-4-carboxamide
CID 3707113
4-N-(3-chlorophenyl)-1-N-methylpiperazine-1,4-dicarboxamide
CID 23932887
N-(3-chloro-4-methoxyphenyl)-6-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109096074

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazole-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazole-1-carboxamide (CID 671243) is N-(3-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazole-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazole-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazole-1-carboxamide is O=C(c1ccn(C(=O)Nc2cccc(Cl)c2)n1)N1CCOCC1.
What is the InChIKey of N-(3-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazole-1-carboxamide?
The InChIKey is PWUVXJUDJHRGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O3/c16-11-2-1-3-12(10-11)17-15(22)20-5-4-13(18-20)14(21)19-6-8-23-9-7-19/h1-5,10H,6-9H2,(H,17,22).
What are the key properties of N-(3-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazole-1-carboxamide?
N-(3-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazole-1-carboxamide has a molecular weight of 334.76 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazole-1-carboxamide is sourced from PubChem (CID 671243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).