3-(4-methylphenyl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1-phenylpyrazole-4-carboxamide

C27H28N4O2S — CID 30825116

IUPAC3-(4-methylphenyl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc1
InChIInChI=1S/C27H28N4O2S/c1-20-9-11-21(12-10-20)26-23(19-31(29-26)22-6-3-2-4-7-22)27(32)28-18-24(25-8-5-17-34-25)30-13-15-33-16-14-30/h2-12,17,19,24H,13-16,18H2,1H3,(H,28,32)/t24-/m0/s1
InChIKeyPZPRCOWRSCKDQN-DEOSSOPVSA-N
MW472.61 g/mol
LogP4.71
Rot. Bonds7

About 3-(4-methylphenyl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1-phenylpyrazole-4-carboxamide

3-(4-methylphenyl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 30825116) has the molecular formula C27H28N4O2S and a molecular weight of 472.61 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1-phenylpyrazole-4-carboxamide
PubChem CID30825116
Molecular FormulaC27H28N4O2S
Molecular Weight472.61 g/mol
Exact Mass472.19
IUPAC Name3-(4-methylphenyl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc1
InChIInChI=1S/C27H28N4O2S/c1-20-9-11-21(12-10-20)26-23(19-31(29-26)22-6-3-2-4-7-22)27(32)28-18-24(25-8-5-17-34-25)30-13-15-33-16-14-30/h2-12,17,19,24H,13-16,18H2,1H3,(H,28,32)/t24-/m0/s1
InChIKeyPZPRCOWRSCKDQN-DEOSSOPVSA-N
XLogP4.71
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide
CID 38094090
3-(4-methylphenyl)-N-(morpholine-4-carbothioyl)-1-phenylpyrazole-4-carboxamide
CID 2333898
2-(dimethylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 167860438
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide
CID 37217772
N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-(tetrazol-1-yl)benzamide
CID 51931032
N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 2395138
N-benzyl-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 1340356
N-(2-morpholin-4-ylethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2327183
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-4-carboxamide
CID 47007223
5-chloro-2-fluoro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 18148637
N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-(trifluoromethyl)benzamide
CID 39951261
5-methyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide
CID 93482387

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(4-methylphenyl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1-phenylpyrazole-4-carboxamide (CID 30825116) is 3-(4-methylphenyl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(4-methylphenyl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1-phenylpyrazole-4-carboxamide is Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is PZPRCOWRSCKDQN-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H28N4O2S/c1-20-9-11-21(12-10-20)26-23(19-31(29-26)22-6-3-2-4-7-22)27(32)28-18-24(25-8-5-17-34-25)30-13-15-33-16-14-30/h2-12,17,19,24H,13-16,18H2,1H3,(H,28,32)/t24-/m0/s1.
What are the key properties of 3-(4-methylphenyl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1-phenylpyrazole-4-carboxamide?
3-(4-methylphenyl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 472.61 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 30825116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).