N-butan-2-yl-3-(furan-2-yl)-1-methylpyrazole-5-carboxamide

C13H17N3O2 — CID 42656738

IUPACN-butan-2-yl-3-(furan-2-yl)-1-methylpyrazole-5-carboxamide
SMILESCCC(C)NC(=O)c1cc(-c2ccco2)nn1C
InChIInChI=1S/C13H17N3O2/c1-4-9(2)14-13(17)11-8-10(15-16(11)3)12-6-5-7-18-12/h5-9H,4H2,1-3H3,(H,14,17)
InChIKeyDURRNSUMYZTGAT-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.21
Rot. Bonds4

About N-butan-2-yl-3-(furan-2-yl)-1-methylpyrazole-5-carboxamide

N-butan-2-yl-3-(furan-2-yl)-1-methylpyrazole-5-carboxamide (PubChem CID 42656738) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-butan-2-yl-3-(furan-2-yl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(furan-2-yl)-1-methylpyrazole-5-carboxamide
PubChem CID42656738
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-butan-2-yl-3-(furan-2-yl)-1-methylpyrazole-5-carboxamide
SMILESCCC(C)NC(=O)c1cc(-c2ccco2)nn1C
InChIInChI=1S/C13H17N3O2/c1-4-9(2)14-13(17)11-8-10(15-16(11)3)12-6-5-7-18-12/h5-9H,4H2,1-3H3,(H,14,17)
InChIKeyDURRNSUMYZTGAT-UHFFFAOYSA-N
XLogP2.21
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-butan-2-yl-3-(furan-2-yl)-1-methylpyrazole-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

N-[(2R)-butan-2-yl]-1-(3-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 771696
N-butan-2-yl-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 42758555
N-[(2S)-butan-2-yl]-7-ethyl-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 95058555
N-butan-2-yl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 19513917
ethane;ethyl 3-(furan-2-yl)-1-methylpyrazole-5-carboxylate
CID 143899550
N-butan-2-yl-2-(furan-2-yl)quinoline-4-carboxamide
CID 3637493
N-butan-2-yl-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3148167
1-(4-chlorophenyl)-3-(furan-2-yl)-N-propan-2-ylpyrazole-5-carboxamide
CID 2382321
3-(furan-2-yl)-1-phenyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazole-5-carboxamide
CID 55975353
N-[(2S)-butan-2-yl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carboxamide
CID 812311
N-benzyl-3-(furan-2-yl)-N,1-dimethylpyrazole-5-carboxamide
CID 42879277
N-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-1-propylpyrazole-5-carboxamide
CID 42879207

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(furan-2-yl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-butan-2-yl-3-(furan-2-yl)-1-methylpyrazole-5-carboxamide (CID 42656738) is N-butan-2-yl-3-(furan-2-yl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-butan-2-yl-3-(furan-2-yl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-butan-2-yl-3-(furan-2-yl)-1-methylpyrazole-5-carboxamide is CCC(C)NC(=O)c1cc(-c2ccco2)nn1C.
What is the InChIKey of N-butan-2-yl-3-(furan-2-yl)-1-methylpyrazole-5-carboxamide?
The InChIKey is DURRNSUMYZTGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-4-9(2)14-13(17)11-8-10(15-16(11)3)12-6-5-7-18-12/h5-9H,4H2,1-3H3,(H,14,17).
What are the key properties of N-butan-2-yl-3-(furan-2-yl)-1-methylpyrazole-5-carboxamide?
N-butan-2-yl-3-(furan-2-yl)-1-methylpyrazole-5-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(furan-2-yl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 42656738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).