N-(furan-2-ylmethyl)-3-phenyl-1H-pyrazole-5-carboxamide

C15H13N3O2 — CID 8867965

IUPACN-(furan-2-ylmethyl)-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C15H13N3O2/c19-15(16-10-12-7-4-8-20-12)14-9-13(17-18-14)11-5-2-1-3-6-11/h1-9H,10H2,(H,16,19)(H,17,18)
InChIKeyGKUNTQALYUVTFI-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.60
Rot. Bonds4

About N-(furan-2-ylmethyl)-3-phenyl-1H-pyrazole-5-carboxamide

N-(furan-2-ylmethyl)-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 8867965) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID8867965
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC NameN-(furan-2-ylmethyl)-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C15H13N3O2/c19-15(16-10-12-7-4-8-20-12)14-9-13(17-18-14)11-5-2-1-3-6-11/h1-9H,10H2,(H,16,19)(H,17,18)
InChIKeyGKUNTQALYUVTFI-UHFFFAOYSA-N
XLogP2.60
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethylphenyl)-N'-[(E)-furan-2-ylmethylidene]-1H-pyrazole-5-carbohydrazide
CID 6888582
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
2-[5-(2-furyl)-3-methyl-1H-pyrazol-1-yl]-N-(3-phenylpropyl)acetamide
CID 5308195
4-(4-ethoxyphenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
CID 5309050
N-benzyl-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide
CID 6620408
2-[3,4-dimethyl-2-(4-methylphenyl)-7-oxo-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl]-N-(2-furylmethyl)propanamide
CID 16022634
2-{3,4-Dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL}-N-[(furan-2-YL)methyl]propanamide
CID 16022770
N-(furan-2-ylmethyl)-1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenylpyrazole-3-carboxamide
CID 24982200
1-(furan-2-ylmethyl)-3-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]urea
CID 168291510
furan-2-yl(3-phenyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)methanone
CID 17583658
N-Furan-2-ylmethyl-2-(3-trifluoromethyl-4,5,6,7-tetrahydro-indazol-1-yl)-acetamide
CID 656000

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-phenyl-1H-pyrazole-5-carboxamide (CID 8867965) is N-(furan-2-ylmethyl)-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-phenyl-1H-pyrazole-5-carboxamide is O=C(NCc1ccco1)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is GKUNTQALYUVTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c19-15(16-10-12-7-4-8-20-12)14-9-13(17-18-14)11-5-2-1-3-6-11/h1-9H,10H2,(H,16,19)(H,17,18).
What are the key properties of N-(furan-2-ylmethyl)-3-phenyl-1H-pyrazole-5-carboxamide?
N-(furan-2-ylmethyl)-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 8867965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).