N-(2-hydroxy-2-propylpentyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide

C16H29N3O2 — CID 111560546

IUPACN-(2-hydroxy-2-propylpentyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCCC(O)(CCC)CNC(=O)c1cc(C(C)C)nn1C
InChIInChI=1S/C16H29N3O2/c1-6-8-16(21,9-7-2)11-17-15(20)14-10-13(12(3)4)18-19(14)5/h10,12,21H,6-9,11H2,1-5H3,(H,17,20)
InChIKeyWKVCULJGTRBUHV-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.60
Rot. Bonds8

About N-(2-hydroxy-2-propylpentyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide

N-(2-hydroxy-2-propylpentyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 111560546) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-(2-hydroxy-2-propylpentyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-propylpentyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID111560546
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN-(2-hydroxy-2-propylpentyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCCC(O)(CCC)CNC(=O)c1cc(C(C)C)nn1C
InChIInChI=1S/C16H29N3O2/c1-6-8-16(21,9-7-2)11-17-15(20)14-10-13(12(3)4)18-19(14)5/h10,12,21H,6-9,11H2,1-5H3,(H,17,20)
InChIKeyWKVCULJGTRBUHV-UHFFFAOYSA-N
XLogP2.60
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-hydroxy-2-propylpentyl)-1-methyl-3-propan-2-ylpyrazole-5-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

1-ethyl-N-(2-hydroxy-2-methylpropyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 65109682
N-(2-hydroxy-3-methylpentyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 71917281
N-[(2S,3R)-2-hydroxy-3-methylpentyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 97095637
N-(3-hydroxy-4-methylpentyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 111560633
1-ethyl-N-(2-hydroxy-2,3-dimethylbutyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 111483892
N-(2,3-dihydroxy-2-methylpropyl)-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
CID 66171515
1-methyl-3-propan-2-yl-N-(pyrimidin-5-ylmethyl)pyrazole-5-carboxamide
CID 171682397
1-ethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 103712500
1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanone
CID 82376195
1-methyl-3-propan-2-yl-N-[2-(1,2,4-triazol-1-yl)propyl]pyrazole-5-carboxamide
CID 110226023
methyl 1-methyl-3-propan-2-ylpyrazole-5-carboxylate
CID 25248219
1-methyl-N-(2-morpholin-4-ylethyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 70761922

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-propylpentyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-(2-hydroxy-2-propylpentyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide (CID 111560546) is N-(2-hydroxy-2-propylpentyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-propylpentyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-propylpentyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide is CCCC(O)(CCC)CNC(=O)c1cc(C(C)C)nn1C.
What is the InChIKey of N-(2-hydroxy-2-propylpentyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is WKVCULJGTRBUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-6-8-16(21,9-7-2)11-17-15(20)14-10-13(12(3)4)18-19(14)5/h10,12,21H,6-9,11H2,1-5H3,(H,17,20).
What are the key properties of N-(2-hydroxy-2-propylpentyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
N-(2-hydroxy-2-propylpentyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-propylpentyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 111560546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).