N-butyl-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

C13H17N3O2 — CID 19463195

IUPACN-butyl-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
SMILESCCCCNC(=O)c1ccc(Cn2cccn2)o1
InChIInChI=1S/C13H17N3O2/c1-2-3-7-14-13(17)12-6-5-11(18-12)10-16-9-4-8-15-16/h4-6,8-9H,2-3,7,10H2,1H3,(H,14,17)
InChIKeyJVHVCMMNPNHLGB-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.05
Rot. Bonds6

About N-butyl-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

N-butyl-5-(pyrazol-1-ylmethyl)furan-2-carboxamide (PubChem CID 19463195) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-butyl-5-(pyrazol-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-butyl-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
PubChem CID19463195
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-butyl-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
SMILESCCCCNC(=O)c1ccc(Cn2cccn2)o1
InChIInChI=1S/C13H17N3O2/c1-2-3-7-14-13(17)12-6-5-11(18-12)10-16-9-4-8-15-16/h4-6,8-9H,2-3,7,10H2,1H3,(H,14,17)
InChIKeyJVHVCMMNPNHLGB-UHFFFAOYSA-N
XLogP2.05
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxypentyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 107300126
N-(2-hydroxypentyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 115700989
N-[(2-ethylpyrazol-3-yl)methyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19294529
N-(2,3-dihydroxy-2-methylpropyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 66170524
N-ethoxy-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 60756494
N-[(3S)-3-(furan-2-yl)-3-hydroxypropyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 95740980
N-(3-amino-2-hydroxy-3-oxopropyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 106166308
2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid
CID 43355239
N-[(2-chlorophenyl)methyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 39854547
5-methyl-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
CID 37394680
N-(1,3-dihydroxypropan-2-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 65314941
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19288625

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-butyl-5-(pyrazol-1-ylmethyl)furan-2-carboxamide (CID 19463195) is N-butyl-5-(pyrazol-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-butyl-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-butyl-5-(pyrazol-1-ylmethyl)furan-2-carboxamide is CCCCNC(=O)c1ccc(Cn2cccn2)o1.
What is the InChIKey of N-butyl-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The InChIKey is JVHVCMMNPNHLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-2-3-7-14-13(17)12-6-5-11(18-12)10-16-9-4-8-15-16/h4-6,8-9H,2-3,7,10H2,1H3,(H,14,17).
What are the key properties of N-butyl-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
N-butyl-5-(pyrazol-1-ylmethyl)furan-2-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(pyrazol-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 19463195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).