N-(4-hydroxy-2-methylpentyl)-5-methyl-1-phenylpyrazole-3-carboxamide

C17H23N3O2 — CID 111447022

IUPACN-(4-hydroxy-2-methylpentyl)-5-methyl-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC(C)CC(C)O)nn1-c1ccccc1
InChIInChI=1S/C17H23N3O2/c1-12(9-14(3)21)11-18-17(22)16-10-13(2)20(19-16)15-7-5-4-6-8-15/h4-8,10,12,14,21H,9,11H2,1-3H3,(H,18,22)
InChIKeyYEBRHGCUEOJZKT-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.32
Rot. Bonds6

About N-(4-hydroxy-2-methylpentyl)-5-methyl-1-phenylpyrazole-3-carboxamide

N-(4-hydroxy-2-methylpentyl)-5-methyl-1-phenylpyrazole-3-carboxamide (PubChem CID 111447022) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylpentyl)-5-methyl-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylpentyl)-5-methyl-1-phenylpyrazole-3-carboxamide
PubChem CID111447022
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-(4-hydroxy-2-methylpentyl)-5-methyl-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC(C)CC(C)O)nn1-c1ccccc1
InChIInChI=1S/C17H23N3O2/c1-12(9-14(3)21)11-18-17(22)16-10-13(2)20(19-16)15-7-5-4-6-8-15/h4-8,10,12,14,21H,9,11H2,1-3H3,(H,18,22)
InChIKeyYEBRHGCUEOJZKT-UHFFFAOYSA-N
XLogP2.32
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-N-[(2R,4S)-4-hydroxy-2-methylpentyl]-5-methylpyrazole-3-carboxamide
CID 97338956
N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 111662424
5-methyl-N-(3-methyl-2-oxobutyl)-1-phenylpyrazole-3-carboxamide
CID 142965517
5-methyl-1-phenyl-N-(2-phenylbutyl)pyrazole-3-carboxamide
CID 55756841
N-[(2S)-2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 95782203
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55843155
5-methyl-1-phenylpyrazole-3-carboxylic acid
CID 698388
5-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 60511850
1-(2-fluorophenyl)-N-(4-hydroxy-2-methylpentyl)pyrazole-3-carboxamide
CID 111447765
N-[2-(4-methoxyphenoxy)ethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 110372766
N-(3-cyclopentylpropyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55761903
5-methyl-1-phenylpyrazole-3-carboxamide
CID 68896199

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylpentyl)-5-methyl-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-(4-hydroxy-2-methylpentyl)-5-methyl-1-phenylpyrazole-3-carboxamide (CID 111447022) is N-(4-hydroxy-2-methylpentyl)-5-methyl-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2-methylpentyl)-5-methyl-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-hydroxy-2-methylpentyl)-5-methyl-1-phenylpyrazole-3-carboxamide is Cc1cc(C(=O)NCC(C)CC(C)O)nn1-c1ccccc1.
What is the InChIKey of N-(4-hydroxy-2-methylpentyl)-5-methyl-1-phenylpyrazole-3-carboxamide?
The InChIKey is YEBRHGCUEOJZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12(9-14(3)21)11-18-17(22)16-10-13(2)20(19-16)15-7-5-4-6-8-15/h4-8,10,12,14,21H,9,11H2,1-3H3,(H,18,22).
What are the key properties of N-(4-hydroxy-2-methylpentyl)-5-methyl-1-phenylpyrazole-3-carboxamide?
N-(4-hydroxy-2-methylpentyl)-5-methyl-1-phenylpyrazole-3-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylpentyl)-5-methyl-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 111447022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).