5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-3-carboxamide

C15H12FN3O2 — CID 19514521

IUPAC3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESC1=COC(=C1)CNC(=O)C2=CC(=NN2)C3=CC=C(C=C3)F
InChIInChI=1S/C15H12FN3O2/c16-11-5-3-10(4-6-11)13-8-14(19-18-13)15(20)17-9-12-2-1-7-21-12/h1-8H,9H2,(H,17,20)(H,18,19)
InChIKeyCEKLSLPGZUGGKB-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.20
Rot. Bonds4

About 5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-3-carboxamide

5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-3-carboxamide (PubChem CID 19514521) has the molecular formula C15H12FN3O2 and a molecular weight of 285.27 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-3-carboxamide
PubChem CID19514521
Molecular FormulaC15H12FN3O2
Molecular Weight285.27 g/mol
Exact Mass285.09
IUPAC Name3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESC1=COC(=C1)CNC(=O)C2=CC(=NN2)C3=CC=C(C=C3)F
InChIInChI=1S/C15H12FN3O2/c16-11-5-3-10(4-6-11)13-8-14(19-18-13)15(20)17-9-12-2-1-7-21-12/h1-8H,9H2,(H,17,20)(H,18,19)
InChIKeyCEKLSLPGZUGGKB-UHFFFAOYSA-N
XLogP2.20
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity361

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
4-(4-fluorophenyl)-5-(furan-2-ylmethyl)-3-(2-hydroxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
CID 666973
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
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
1-{[3-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl}-4-(2-furoyl)piperazine
CID 16191908
N-(cyclohexylmethyl)-3-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 49778626
[5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]furan-2-yl]-[3-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-yl]methanone
CID 124042451
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

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-3-carboxamide (CID 19514521) is 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-3-carboxamide is C1=COC(=C1)CNC(=O)C2=CC(=NN2)C3=CC=C(C=C3)F.
What is the InChIKey of 5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is CEKLSLPGZUGGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c16-11-5-3-10(4-6-11)13-8-14(19-18-13)15(20)17-9-12-2-1-7-21-12/h1-8H,9H2,(H,17,20)(H,18,19).
What are the key properties of 5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-3-carboxamide?
5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 285.27 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 19514521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).