2-chloro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide

C21H19ClN4O3 — CID 1067719

IUPAC2-chloro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide
SMILESO=C(Nc1c(C(=O)N2CCOCC2)cnn1-c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C21H19ClN4O3/c22-18-9-5-4-8-16(18)20(27)24-19-17(21(28)25-10-12-29-13-11-25)14-23-26(19)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,24,27)
InChIKeyRZLKHLVGSQRGIU-UHFFFAOYSA-N
MW410.86 g/mol
LogP3.25
Rot. Bonds4

About 2-chloro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide

2-chloro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide (PubChem CID 1067719) has the molecular formula C21H19ClN4O3 and a molecular weight of 410.86 g/mol. Its IUPAC name is 2-chloro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide
PubChem CID1067719
Molecular FormulaC21H19ClN4O3
Molecular Weight410.86 g/mol
Exact Mass410.11
IUPAC Name2-chloro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide
SMILESO=C(Nc1c(C(=O)N2CCOCC2)cnn1-c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C21H19ClN4O3/c22-18-9-5-4-8-16(18)20(27)24-19-17(21(28)25-10-12-29-13-11-25)14-23-26(19)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,24,27)
InChIKeyRZLKHLVGSQRGIU-UHFFFAOYSA-N
XLogP3.25
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.86
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-chlorobenzoyl)amino]-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 3109213
N-[4-(4-benzylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]-2-methylbenzamide
CID 56696883
2-chloro-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]benzamide
CID 19338846
N-[4-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]thiophene-2-carboxamide
CID 1350909
5-benzamido-1-phenylpyrazole-4-carboxylic acid
CID 16638016
2-chloro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 17462897
(2,3-dichlorophenyl)-morpholin-4-ylmethanone
CID 1247473
2-chloro-4-methyl-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 56920455
ethyl 5-[(2,4-dichlorobenzoyl)amino]-1-phenylpyrazole-4-carboxylate
CID 4547350
(4-chloro-3-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 81226471
N-[4-(4-benzylpiperazin-1-yl)-3-(morpholine-4-carbonyl)phenyl]-2-chlorobenzamide
CID 42679896
N-[4-(4-benzylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]-3-fluorobenzamide
CID 2892347

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide?
The IUPAC name of 2-chloro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide (CID 1067719) is 2-chloro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide?
The canonical SMILES for 2-chloro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide is O=C(Nc1c(C(=O)N2CCOCC2)cnn1-c1ccccc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide?
The InChIKey is RZLKHLVGSQRGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O3/c22-18-9-5-4-8-16(18)20(27)24-19-17(21(28)25-10-12-29-13-11-25)14-23-26(19)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,24,27).
What are the key properties of 2-chloro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide?
2-chloro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide has a molecular weight of 410.86 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide is sourced from PubChem (CID 1067719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).