4-[1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbonyl]morpholine-2-carboxamide

C22H21ClN4O3 — CID 60607152

IUPAC4-[1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbonyl]morpholine-2-carboxamide
SMILESNC(=O)C1CN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)CCO1
InChIInChI=1S/C22H21ClN4O3/c23-17-8-6-16(7-9-17)20-18(13-27(25-20)12-15-4-2-1-3-5-15)22(29)26-10-11-30-19(14-26)21(24)28/h1-9,13,19H,10-12,14H2,(H2,24,28)
InChIKeyXVSFJVFEPAJTEV-UHFFFAOYSA-N
MW424.89 g/mol
LogP2.58
Rot. Bonds5

About 4-[1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbonyl]morpholine-2-carboxamide

4-[1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbonyl]morpholine-2-carboxamide (PubChem CID 60607152) has the molecular formula C22H21ClN4O3 and a molecular weight of 424.89 g/mol. Its IUPAC name is 4-[1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbonyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name4-[1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbonyl]morpholine-2-carboxamide
PubChem CID60607152
Molecular FormulaC22H21ClN4O3
Molecular Weight424.89 g/mol
Exact Mass424.13
IUPAC Name4-[1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbonyl]morpholine-2-carboxamide
SMILESNC(=O)C1CN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)CCO1
InChIInChI=1S/C22H21ClN4O3/c23-17-8-6-16(7-9-17)20-18(13-27(25-20)12-15-4-2-1-3-5-15)22(29)26-10-11-30-19(14-26)21(24)28/h1-9,13,19H,10-12,14H2,(H2,24,28)
InChIKeyXVSFJVFEPAJTEV-UHFFFAOYSA-N
XLogP2.58
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.89
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-benzyl-3-phenylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone
CID 24575611
(1-benzyl-3-phenylpyrazol-4-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone
CID 31415184
4-[(E)-3-[1-benzyl-3-(4-methylphenyl)pyrazol-4-yl]prop-2-enoyl]morpholine-2-carboxamide
CID 60607220
[1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-(1,4-diazepan-1-yl)methanone;hydrochloride
CID 119417240
2-[4-[1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N-ethylacetamide
CID 36521915
(1-benzyl-3-phenylpyrazol-4-yl)-(3-methylpiperazin-1-yl)methanone
CID 119576322
[1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 55493749
[(3R)-3-aminopyrrolidin-1-yl]-[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]methanone
CID 119410389
(3-aminopiperidin-1-yl)-[1-benzyl-3-(4-methoxyphenyl)pyrazol-4-yl]methanone;hydrochloride
CID 119377328
[4-[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 55849958
[1-benzyl-3-(4-methylphenyl)pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone
CID 8006130
2-[4-(1-benzyl-3-phenylpyrazole-4-carbonyl)piperazin-1-yl]propanamide
CID 86953684

Frequently Asked Questions

What is the IUPAC name of 4-[1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbonyl]morpholine-2-carboxamide?
The IUPAC name of 4-[1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbonyl]morpholine-2-carboxamide (CID 60607152) is 4-[1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbonyl]morpholine-2-carboxamide.
What is the SMILES notation for 4-[1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbonyl]morpholine-2-carboxamide?
The canonical SMILES for 4-[1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbonyl]morpholine-2-carboxamide is NC(=O)C1CN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)CCO1.
What is the InChIKey of 4-[1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbonyl]morpholine-2-carboxamide?
The InChIKey is XVSFJVFEPAJTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O3/c23-17-8-6-16(7-9-17)20-18(13-27(25-20)12-15-4-2-1-3-5-15)22(29)26-10-11-30-19(14-26)21(24)28/h1-9,13,19H,10-12,14H2,(H2,24,28).
What are the key properties of 4-[1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbonyl]morpholine-2-carboxamide?
4-[1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbonyl]morpholine-2-carboxamide has a molecular weight of 424.89 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbonyl]morpholine-2-carboxamide is sourced from PubChem (CID 60607152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).