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

C12H15N3O2 — CID 19513917

IUPACN-butan-2-yl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCCC(C)NC(=O)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C12H15N3O2/c1-3-8(2)13-12(16)10-7-9(14-15-10)11-5-4-6-17-11/h4-8H,3H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyRSJZMGQYZPBNRA-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.20
Rot. Bonds4

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

N-butan-2-yl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 19513917) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-butan-2-yl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID19513917
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-butan-2-yl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCCC(C)NC(=O)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C12H15N3O2/c1-3-8(2)13-12(16)10-7-9(14-15-10)11-5-4-6-17-11/h4-8H,3H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyRSJZMGQYZPBNRA-UHFFFAOYSA-N
XLogP2.20
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-butan-2-yl-5-(furan-2-yl)-1H-pyrazole-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

5-(furan-2-yl)-1H-pyrazole-3-carboxylic acid
CID 654018
3-(5-methylfuran-2-yl)-1H-pyrazole-5-carbohydrazide
CID 727435
3-(furan-2-yl)-N'-[(4-methylcyclohexyl)carbonyl]-1H-pyrazole-5-carbohydrazide
CID 3263209
4-(2-Furanyl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 662731
4-[3-(2-furyl)-1H-pyrazol-5-yl]piperidine
CID 2764503
5-(2-Furyl)-3-methyl-1H-pyrazole
CID 700124
5-(1H-pyrazol-5-yl)furan-2-carbaldehyde
CID 17750888
5-(2-Furyl)-3-(trifluoromethyl)pyrazole
CID 12007125
2-[5-(2-furyl)-3-methyl-1H-pyrazol-1-yl]-N-(3-phenylpropyl)acetamide
CID 5308195
N-benzyl-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide
CID 6620408
5-(furan-2-yl)-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-1H-pyrazole-3-carboxamide
CID 11504199
N'-[(4-ethylcyclohexyl)carbonyl]-3-(furan-2-yl)-1H-pyrazole-5-carbohydrazide
CID 3417519

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-butan-2-yl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (CID 19513917) is N-butan-2-yl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-butan-2-yl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is CCC(C)NC(=O)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of N-butan-2-yl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is RSJZMGQYZPBNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-3-8(2)13-12(16)10-7-9(14-15-10)11-5-4-6-17-11/h4-8H,3H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of N-butan-2-yl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
N-butan-2-yl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 19513917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).