1-methyl-3-(morpholine-4-carbonyl)-N-[(1S)-1-(4-propylphenyl)ethyl]pyrazole-5-carboxamide

C21H28N4O3 — CID 51852268

IUPAC1-methyl-3-(morpholine-4-carbonyl)-N-[(1S)-1-(4-propylphenyl)ethyl]pyrazole-5-carboxamide
SMILESCCCc1ccc([C@H](C)NC(=O)c2cc(C(=O)N3CCOCC3)nn2C)cc1
InChIInChI=1S/C21H28N4O3/c1-4-5-16-6-8-17(9-7-16)15(2)22-20(26)19-14-18(23-24(19)3)21(27)25-10-12-28-13-11-25/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,22,26)/t15-/m0/s1
InChIKeyRHXGYWBRRQTIBF-HNNXBMFYSA-N
MW384.48 g/mol
LogP2.34
Rot. Bonds6

About 1-methyl-3-(morpholine-4-carbonyl)-N-[(1S)-1-(4-propylphenyl)ethyl]pyrazole-5-carboxamide

1-methyl-3-(morpholine-4-carbonyl)-N-[(1S)-1-(4-propylphenyl)ethyl]pyrazole-5-carboxamide (PubChem CID 51852268) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-methyl-3-(morpholine-4-carbonyl)-N-[(1S)-1-(4-propylphenyl)ethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-3-(morpholine-4-carbonyl)-N-[(1S)-1-(4-propylphenyl)ethyl]pyrazole-5-carboxamide
PubChem CID51852268
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name1-methyl-3-(morpholine-4-carbonyl)-N-[(1S)-1-(4-propylphenyl)ethyl]pyrazole-5-carboxamide
SMILESCCCc1ccc([C@H](C)NC(=O)c2cc(C(=O)N3CCOCC3)nn2C)cc1
InChIInChI=1S/C21H28N4O3/c1-4-5-16-6-8-17(9-7-16)15(2)22-20(26)19-14-18(23-24(19)3)21(27)25-10-12-28-13-11-25/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,22,26)/t15-/m0/s1
InChIKeyRHXGYWBRRQTIBF-HNNXBMFYSA-N
XLogP2.34
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide
CID 98422247
[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[1-methyl-3-(morpholine-4-carbonyl)pyrazol-5-yl]methanone
CID 19615316
methyl 5-ethyl-2-[[1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carbonyl]amino]thiophene-3-carboxylate
CID 19615322
2-[[2-methyl-1-(4-propylphenyl)propyl]amino]-1-morpholin-4-ylethanone
CID 78818405
(1,5-dimethylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 11344828
2,5-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazole-3-carboxamide
CID 78905447
N-(3,5-dichloro-2-pyridinyl)-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide
CID 19615299
morpholin-4-yl-(5-propyl-1,2-oxazol-3-yl)methanone
CID 46246353
2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 42285692
N-(2-methylpropyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109079570
1-[2-oxo-2-[1-(4-propylphenyl)ethylamino]ethyl]pyrazole-3-carboxylic acid
CID 19502144
5-[1-(4-ethylphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120684793

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(morpholine-4-carbonyl)-N-[(1S)-1-(4-propylphenyl)ethyl]pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-3-(morpholine-4-carbonyl)-N-[(1S)-1-(4-propylphenyl)ethyl]pyrazole-5-carboxamide (CID 51852268) is 1-methyl-3-(morpholine-4-carbonyl)-N-[(1S)-1-(4-propylphenyl)ethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-3-(morpholine-4-carbonyl)-N-[(1S)-1-(4-propylphenyl)ethyl]pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-3-(morpholine-4-carbonyl)-N-[(1S)-1-(4-propylphenyl)ethyl]pyrazole-5-carboxamide is CCCc1ccc([C@H](C)NC(=O)c2cc(C(=O)N3CCOCC3)nn2C)cc1.
What is the InChIKey of 1-methyl-3-(morpholine-4-carbonyl)-N-[(1S)-1-(4-propylphenyl)ethyl]pyrazole-5-carboxamide?
The InChIKey is RHXGYWBRRQTIBF-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-4-5-16-6-8-17(9-7-16)15(2)22-20(26)19-14-18(23-24(19)3)21(27)25-10-12-28-13-11-25/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,22,26)/t15-/m0/s1.
What are the key properties of 1-methyl-3-(morpholine-4-carbonyl)-N-[(1S)-1-(4-propylphenyl)ethyl]pyrazole-5-carboxamide?
1-methyl-3-(morpholine-4-carbonyl)-N-[(1S)-1-(4-propylphenyl)ethyl]pyrazole-5-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(morpholine-4-carbonyl)-N-[(1S)-1-(4-propylphenyl)ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 51852268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).