N-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide

C22H25N3O2 — CID 126775116

IUPACN-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCC(C)(CO)C(CNC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccccc1
InChIInChI=1S/C22H25N3O2/c1-22(2,15-26)18(16-9-5-3-6-10-16)14-23-21(27)20-13-19(24-25-20)17-11-7-4-8-12-17/h3-13,18,26H,14-15H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyPNKZXLBMDFFURD-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.61
Rot. Bonds7

About N-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide

N-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 126775116) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID126775116
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCC(C)(CO)C(CNC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccccc1
InChIInChI=1S/C22H25N3O2/c1-22(2,15-26)18(16-9-5-3-6-10-16)14-23-21(27)20-13-19(24-25-20)17-11-7-4-8-12-17/h3-13,18,26H,14-15H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyPNKZXLBMDFFURD-UHFFFAOYSA-N
XLogP3.61
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 115612805
3-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide
CID 167898904
N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 43392945
N-(5-hydroxy-4-methylpentyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 103862071
N-[(2-methylpropan-2-yl)oxy]-3-phenyl-1H-pyrazole-5-carboxamide
CID 82723163
2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 118877078
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 167869393
N-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 102560447
2-hydroxy-N-[(2R)-4-hydroxy-3,3-dimethyl-2-phenylbutyl]-3,5-dimethylbenzamide
CID 97067577
N-[(2R)-4-hydroxy-3,3-dimethyl-2-phenylbutyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 99696573
N-(1-hydroxybutan-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 43418024
N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 95278903

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide (CID 126775116) is N-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide is CC(C)(CO)C(CNC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccccc1.
What is the InChIKey of N-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is PNKZXLBMDFFURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-22(2,15-26)18(16-9-5-3-6-10-16)14-23-21(27)20-13-19(24-25-20)17-11-7-4-8-12-17/h3-13,18,26H,14-15H2,1-2H3,(H,23,27)(H,24,25).
What are the key properties of N-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide?
N-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 3.61, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 126775116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).