N-(2-methylpropyl)-2-propylpyrazole-3-carboxamide

C11H19N3O — CID 35522331

IUPACN-(2-methylpropyl)-2-propylpyrazole-3-carboxamide
SMILESCCCn1nccc1C(=O)NCC(C)C
InChIInChI=1S/C11H19N3O/c1-4-7-14-10(5-6-13-14)11(15)12-8-9(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,12,15)
InChIKeyNGERWWPBMDVPOJ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.68
Rot. Bonds5

About N-(2-methylpropyl)-2-propylpyrazole-3-carboxamide

N-(2-methylpropyl)-2-propylpyrazole-3-carboxamide (PubChem CID 35522331) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-propylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-propylpyrazole-3-carboxamide
PubChem CID35522331
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-(2-methylpropyl)-2-propylpyrazole-3-carboxamide
SMILESCCCn1nccc1C(=O)NCC(C)C
InChIInChI=1S/C11H19N3O/c1-4-7-14-10(5-6-13-14)11(15)12-8-9(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,12,15)
InChIKeyNGERWWPBMDVPOJ-UHFFFAOYSA-N
XLogP1.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-methylpropyl)-2-propylpyrazole-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

2-propylpyrazole-3-carboxylic acid
CID 7017775
2-amino-1-(2-propylpyrazol-3-yl)propan-1-one
CID 116551709
2-hydroxy-1-(2-propylpyrazol-3-yl)propan-1-one
CID 103451384
3-(ethylamino)-2-methyl-1-(2-propylpyrazol-3-yl)propan-1-one
CID 116565240
N-[(1-ethylpyrazol-4-yl)methyl]-2-propylpyrazole-3-carboxamide
CID 35535097
N-phenyl-2-propylpyrazole-3-carboxamide
CID 39891941
3-amino-2-methyl-1-(2-propylpyrazol-3-yl)butan-1-one
CID 116612216
2-propyl-N-(3-thiophen-2-ylpropyl)pyrazole-3-carboxamide
CID 171132785
2-(aminomethyl)-4-methyl-1-(2-propylpyrazol-3-yl)pentan-1-one
CID 116597901
N-(5-methyl-2-propylpyrazol-3-yl)-2-propylpyrazole-3-carboxamide
CID 35531688
N-[(1S)-1-(4-methylphenyl)propyl]-2-propylpyrazole-3-carboxamide
CID 35531288
(2S)-2-hydroxy-3-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid
CID 107833827

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-propylpyrazole-3-carboxamide?
The IUPAC name of N-(2-methylpropyl)-2-propylpyrazole-3-carboxamide (CID 35522331) is N-(2-methylpropyl)-2-propylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-2-propylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-2-propylpyrazole-3-carboxamide is CCCn1nccc1C(=O)NCC(C)C.
What is the InChIKey of N-(2-methylpropyl)-2-propylpyrazole-3-carboxamide?
The InChIKey is NGERWWPBMDVPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-7-14-10(5-6-13-14)11(15)12-8-9(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,12,15).
What are the key properties of N-(2-methylpropyl)-2-propylpyrazole-3-carboxamide?
N-(2-methylpropyl)-2-propylpyrazole-3-carboxamide has a molecular weight of 209.29 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-propylpyrazole-3-carboxamide is sourced from PubChem (CID 35522331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).