N-(3,3-dimethyl-1-phenylbutyl)-5-methyl-1H-pyrazole-4-carboxamide

C17H23N3O — CID 63998024

IUPACN-(3,3-dimethyl-1-phenylbutyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NC(CC(C)(C)C)c1ccccc1
InChIInChI=1S/C17H23N3O/c1-12-14(11-18-20-12)16(21)19-15(10-17(2,3)4)13-8-6-5-7-9-13/h5-9,11,15H,10H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyGAQORYXDYBGLLG-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.63
Rot. Bonds4

About N-(3,3-dimethyl-1-phenylbutyl)-5-methyl-1H-pyrazole-4-carboxamide

N-(3,3-dimethyl-1-phenylbutyl)-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 63998024) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(3,3-dimethyl-1-phenylbutyl)-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-1-phenylbutyl)-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID63998024
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-(3,3-dimethyl-1-phenylbutyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NC(CC(C)(C)C)c1ccccc1
InChIInChI=1S/C17H23N3O/c1-12-14(11-18-20-12)16(21)19-15(10-17(2,3)4)13-8-6-5-7-9-13/h5-9,11,15H,10H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyGAQORYXDYBGLLG-UHFFFAOYSA-N
XLogP3.63
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 103945112
N-[(1R)-2-(diethylamino)-1-phenylethyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 97212696
N-(2-chloro-2-phenylethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 113271434
5-methyl-N-pentan-3-yl-1H-pyrazole-4-carboxamide
CID 63996997
(2S)-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]-4-phenylbutanoic acid
CID 104983134
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]benzamide
CID 166453469
N-[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1H-pyrazole-4-carboxamide
CID 95767230
N-(1-amino-4,4-dimethylpentan-3-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 106357237
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 122572746
4-bromo-N-(3,3-dimethyl-1-phenylbutyl)-1H-pyrrole-2-carboxamide
CID 63524049
(2R)-2-(2-chlorophenyl)-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]acetic acid
CID 107314362
N-(3,3-dimethyl-1-phenylbutyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 55765922

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-1-phenylbutyl)-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(3,3-dimethyl-1-phenylbutyl)-5-methyl-1H-pyrazole-4-carboxamide (CID 63998024) is N-(3,3-dimethyl-1-phenylbutyl)-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(3,3-dimethyl-1-phenylbutyl)-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(3,3-dimethyl-1-phenylbutyl)-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)NC(CC(C)(C)C)c1ccccc1.
What is the InChIKey of N-(3,3-dimethyl-1-phenylbutyl)-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is GAQORYXDYBGLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-14(11-18-20-12)16(21)19-15(10-17(2,3)4)13-8-6-5-7-9-13/h5-9,11,15H,10H2,1-4H3,(H,18,20)(H,19,21).
What are the key properties of N-(3,3-dimethyl-1-phenylbutyl)-5-methyl-1H-pyrazole-4-carboxamide?
N-(3,3-dimethyl-1-phenylbutyl)-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-1-phenylbutyl)-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 63998024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).