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

C15H12FN3O2 — CID 19514521

IUPAC3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1cc(-c2ccc(F)cc2)n[nH]1
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
MW285.28 g/mol
LogP2.74
Rot. Bonds4

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

3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide (PubChem CID 19514521) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
PubChem CID19514521
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1cc(-c2ccc(F)cc2)n[nH]1
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
XLogP2.74
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(furan-2-yl)ethyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71702732
5-(4-fluorophenyl)-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 2145634
[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 19515200
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)benzamide
CID 46385483
2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 56539493
3-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 46920460
N-[(2,4-difluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 121084055
7-(difluoromethyl)-5-(4-fluorophenyl)-N-(furan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19459938
2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]quinoline-4-carboxamide
CID 9079495
N-(furan-2-ylmethyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide
CID 46270303
N-[(2-fluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 17499235
3-(4-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 45030562

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide (CID 19514521) is 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide is O=C(NCc1ccco1)c1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-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 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide?
3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 285.28 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19514521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).