4-(carbamoylamino)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide

C17H22N6O3 — CID 136523469

IUPAC4-(carbamoylamino)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
SMILESNC(=O)Nc1ccc(C(=O)Nc2cnn(CCN3CCOCC3)c2)cc1
InChIInChI=1S/C17H22N6O3/c18-17(25)21-14-3-1-13(2-4-14)16(24)20-15-11-19-23(12-15)6-5-22-7-9-26-10-8-22/h1-4,11-12H,5-10H2,(H,20,24)(H3,18,21,25)
InChIKeyGRZCXCAOWMSFCC-UHFFFAOYSA-N
MW358.40 g/mol
LogP0.96
Rot. Bonds6

About 4-(carbamoylamino)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide

4-(carbamoylamino)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide (PubChem CID 136523469) has the molecular formula C17H22N6O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 4-(carbamoylamino)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name4-(carbamoylamino)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
PubChem CID136523469
Molecular FormulaC17H22N6O3
Molecular Weight358.40 g/mol
Exact Mass358.18
IUPAC Name4-(carbamoylamino)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
SMILESNC(=O)Nc1ccc(C(=O)Nc2cnn(CCN3CCOCC3)c2)cc1
InChIInChI=1S/C17H22N6O3/c18-17(25)21-14-3-1-13(2-4-14)16(24)20-15-11-19-23(12-15)6-5-22-7-9-26-10-8-22/h1-4,11-12H,5-10H2,(H,20,24)(H3,18,21,25)
InChIKeyGRZCXCAOWMSFCC-UHFFFAOYSA-N
XLogP0.96
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
CID 121419957
4-[(dimethylamino)methyl]-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
CID 136523458
6-chloro-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyridine-3-carboxamide
CID 136523476
4-(methylsulfonylmethyl)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
CID 136523477
4-acetamido-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzamide
CID 90622047
2-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 167752336
4-[(4-chlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 48581606
trans-(1S,2S)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide
CID 97081561
N-[4-(4-chloropyrazol-1-yl)phenyl]-4-(3-morpholin-4-ylpropoxy)benzamide
CID 156902307
N-(4-acetylphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 5132306
3-(2,4-difluorophenyl)-1-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazole-4-carboxamide
CID 86949234
N'-(4-carbamoylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 7584971

Frequently Asked Questions

What is the IUPAC name of 4-(carbamoylamino)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide?
The IUPAC name of 4-(carbamoylamino)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide (CID 136523469) is 4-(carbamoylamino)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 4-(carbamoylamino)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide?
The canonical SMILES for 4-(carbamoylamino)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide is NC(=O)Nc1ccc(C(=O)Nc2cnn(CCN3CCOCC3)c2)cc1.
What is the InChIKey of 4-(carbamoylamino)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide?
The InChIKey is GRZCXCAOWMSFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O3/c18-17(25)21-14-3-1-13(2-4-14)16(24)20-15-11-19-23(12-15)6-5-22-7-9-26-10-8-22/h1-4,11-12H,5-10H2,(H,20,24)(H3,18,21,25).
What are the key properties of 4-(carbamoylamino)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide?
4-(carbamoylamino)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide has a molecular weight of 358.40 g/mol, XLogP of 0.96, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carbamoylamino)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 136523469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).