5-(4-ethylphenyl)-N-[(2S)-4-phenylbutan-2-yl]-1H-pyrazole-4-carboxamide

C22H25N3O — CID 95795191

IUPAC5-(4-ethylphenyl)-N-[(2S)-4-phenylbutan-2-yl]-1H-pyrazole-4-carboxamide
SMILESCCc1ccc(-c2[nH]ncc2C(=O)N[C@@H](C)CCc2ccccc2)cc1
InChIInChI=1S/C22H25N3O/c1-3-17-11-13-19(14-12-17)21-20(15-23-25-21)22(26)24-16(2)9-10-18-7-5-4-6-8-18/h4-8,11-16H,3,9-10H2,1-2H3,(H,23,25)(H,24,26)/t16-/m0/s1
InChIKeyWXAPCWLJQMAMKQ-INIZCTEOSA-N
MW347.46 g/mol
LogP4.39
Rot. Bonds7

About 5-(4-ethylphenyl)-N-[(2S)-4-phenylbutan-2-yl]-1H-pyrazole-4-carboxamide

5-(4-ethylphenyl)-N-[(2S)-4-phenylbutan-2-yl]-1H-pyrazole-4-carboxamide (PubChem CID 95795191) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 5-(4-ethylphenyl)-N-[(2S)-4-phenylbutan-2-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-ethylphenyl)-N-[(2S)-4-phenylbutan-2-yl]-1H-pyrazole-4-carboxamide
PubChem CID95795191
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name5-(4-ethylphenyl)-N-[(2S)-4-phenylbutan-2-yl]-1H-pyrazole-4-carboxamide
SMILESCCc1ccc(-c2[nH]ncc2C(=O)N[C@@H](C)CCc2ccccc2)cc1
InChIInChI=1S/C22H25N3O/c1-3-17-11-13-19(14-12-17)21-20(15-23-25-21)22(26)24-16(2)9-10-18-7-5-4-6-8-18/h4-8,11-16H,3,9-10H2,1-2H3,(H,23,25)(H,24,26)/t16-/m0/s1
InChIKeyWXAPCWLJQMAMKQ-INIZCTEOSA-N
XLogP4.39
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-ethylphenyl)-N-(4-phenylbutan-2-yl)-1H-pyrazole-4-carboxamide
CID 71824394
N-butan-2-yl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 24638552
(2S)-2-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]hexanoic acid
CID 120615270
5-(4-ethylphenyl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide
CID 53490374
N-[2-(methylamino)propyl]-5-phenyl-1H-pyrazole-4-carboxamide;hydrochloride
CID 120830450
(2S)-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]-4-phenylbutanoic acid
CID 104983134
5-(4-methoxyphenyl)-N-[(2S)-1-methylsulfanylpropan-2-yl]-1H-pyrazole-4-carboxamide
CID 96565233
4-ethyl-2-methylsulfanyl-N-(4-phenylbutan-2-yl)pyrimidine-5-carboxamide
CID 20913799
N-[(4-ethoxyphenyl)methyl]-5-(4-ethylphenyl)-1H-pyrazole-4-carboxamide
CID 71824423
N-[(2S)-4-phenylbutan-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 25475198
2-hydroxy-5-iodo-N-(4-phenylbutan-2-yl)benzamide
CID 103600369
4-methyl-N-(4-phenylbutan-2-yl)-2-propan-2-ylpyrimidine-5-carboxamide
CID 53034177

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylphenyl)-N-[(2S)-4-phenylbutan-2-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(4-ethylphenyl)-N-[(2S)-4-phenylbutan-2-yl]-1H-pyrazole-4-carboxamide (CID 95795191) is 5-(4-ethylphenyl)-N-[(2S)-4-phenylbutan-2-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-ethylphenyl)-N-[(2S)-4-phenylbutan-2-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-ethylphenyl)-N-[(2S)-4-phenylbutan-2-yl]-1H-pyrazole-4-carboxamide is CCc1ccc(-c2[nH]ncc2C(=O)N[C@@H](C)CCc2ccccc2)cc1.
What is the InChIKey of 5-(4-ethylphenyl)-N-[(2S)-4-phenylbutan-2-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is WXAPCWLJQMAMKQ-INIZCTEOSA-N. The full InChI is InChI=1S/C22H25N3O/c1-3-17-11-13-19(14-12-17)21-20(15-23-25-21)22(26)24-16(2)9-10-18-7-5-4-6-8-18/h4-8,11-16H,3,9-10H2,1-2H3,(H,23,25)(H,24,26)/t16-/m0/s1.
What are the key properties of 5-(4-ethylphenyl)-N-[(2S)-4-phenylbutan-2-yl]-1H-pyrazole-4-carboxamide?
5-(4-ethylphenyl)-N-[(2S)-4-phenylbutan-2-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylphenyl)-N-[(2S)-4-phenylbutan-2-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 95795191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).