N-(1-hydroxy-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide

C11H19N3O2 — CID 61246953

IUPACN-(1-hydroxy-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide
SMILESCC(C)CC(CO)NC(=O)c1ccnn1C
InChIInChI=1S/C11H19N3O2/c1-8(2)6-9(7-15)13-11(16)10-4-5-12-14(10)3/h4-5,8-9,15H,6-7H2,1-3H3,(H,13,16)
InChIKeyPSKDDLABNITGGX-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.56
Rot. Bonds5

About N-(1-hydroxy-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide

N-(1-hydroxy-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide (PubChem CID 61246953) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide
PubChem CID61246953
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide
SMILESCC(C)CC(CO)NC(=O)c1ccnn1C
InChIInChI=1S/C11H19N3O2/c1-8(2)6-9(7-15)13-11(16)10-4-5-12-14(10)3/h4-5,8-9,15H,6-7H2,1-3H3,(H,13,16)
InChIKeyPSKDDLABNITGGX-UHFFFAOYSA-N
XLogP0.56
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-hydroxy-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-bromo-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide
CID 114311618
N-(1-amino-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide
CID 63754352
2-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 19475610
(2R)-2-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid
CID 78972778
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpyrazole-3-carboxamide
CID 103801486
N-(1-hydroxy-4-methylpentan-2-yl)-1-methylpyrazole-4-carboxamide
CID 61247345
N-(1-aminopentan-3-yl)-2-methylpyrazole-3-carboxamide
CID 62921299
N-(5-hydroxy-4-methylpentyl)-2-methylpyrazole-3-carboxamide
CID 103862125
(2S)-4-methyl-2-[[2-[(2-methylpyrazole-3-carbonyl)amino]acetyl]amino]pentanoic acid
CID 120694502
N-[(1R)-1-cyanoethyl]-2-methylpyrazole-3-carboxamide
CID 130678636
2-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide
CID 899926
1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-3-propan-2-ylpyrazole-5-carboxamide
CID 61247059

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide (CID 61246953) is N-(1-hydroxy-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide is CC(C)CC(CO)NC(=O)c1ccnn1C.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide?
The InChIKey is PSKDDLABNITGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(2)6-9(7-15)13-11(16)10-4-5-12-14(10)3/h4-5,8-9,15H,6-7H2,1-3H3,(H,13,16).
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide?
N-(1-hydroxy-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide has a molecular weight of 225.29 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 61246953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).