4-[(2,4-difluorobenzoyl)amino]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide

C16H12F2N4O3 — CID 69378466

IUPAC4-[(2,4-difluorobenzoyl)amino]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cn[nH]c1C(=O)NCc1ccco1)c1ccc(F)cc1F
InChIInChI=1S/C16H12F2N4O3/c17-9-3-4-11(12(18)6-9)15(23)21-13-8-20-22-14(13)16(24)19-7-10-2-1-5-25-10/h1-6,8H,7H2,(H,19,24)(H,20,22)(H,21,23)
InChIKeyGAMXYLRGJDLRID-UHFFFAOYSA-N
MW346.29 g/mol
LogP2.46
Rot. Bonds5

About 4-[(2,4-difluorobenzoyl)amino]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide

4-[(2,4-difluorobenzoyl)amino]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide (PubChem CID 69378466) has the molecular formula C16H12F2N4O3 and a molecular weight of 346.29 g/mol. Its IUPAC name is 4-[(2,4-difluorobenzoyl)amino]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(2,4-difluorobenzoyl)amino]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
PubChem CID69378466
Molecular FormulaC16H12F2N4O3
Molecular Weight346.29 g/mol
Exact Mass346.09
IUPAC Name4-[(2,4-difluorobenzoyl)amino]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cn[nH]c1C(=O)NCc1ccco1)c1ccc(F)cc1F
InChIInChI=1S/C16H12F2N4O3/c17-9-3-4-11(12(18)6-9)15(23)21-13-8-20-22-14(13)16(24)19-7-10-2-1-5-25-10/h1-6,8H,7H2,(H,19,24)(H,20,22)(H,21,23)
InChIKeyGAMXYLRGJDLRID-UHFFFAOYSA-N
XLogP2.46
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,4-difluorobenzoyl)amino]-N-propan-2-yl-1H-pyrazole-5-carboxamide
CID 69378981
N-(furan-2-ylmethyl)-4-(methanesulfonamido)-1H-pyrazole-5-carboxamide
CID 69379558
2,4-difluoro-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide
CID 51192536
N-cyclopentyl-4-[(2,4-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide
CID 69378336
3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 19514521
4-[(2,5-dichlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 69379894
5-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187626
2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 17404436
5-N-(4-fluorophenyl)-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104908
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2554865
N-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide
CID 69381406
2,4-dichloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 4938422

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluorobenzoyl)amino]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[(2,4-difluorobenzoyl)amino]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide (CID 69378466) is 4-[(2,4-difluorobenzoyl)amino]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-[(2,4-difluorobenzoyl)amino]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[(2,4-difluorobenzoyl)amino]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide is O=C(Nc1cn[nH]c1C(=O)NCc1ccco1)c1ccc(F)cc1F.
What is the InChIKey of 4-[(2,4-difluorobenzoyl)amino]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is GAMXYLRGJDLRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N4O3/c17-9-3-4-11(12(18)6-9)15(23)21-13-8-20-22-14(13)16(24)19-7-10-2-1-5-25-10/h1-6,8H,7H2,(H,19,24)(H,20,22)(H,21,23).
What are the key properties of 4-[(2,4-difluorobenzoyl)amino]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide?
4-[(2,4-difluorobenzoyl)amino]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 346.29 g/mol, XLogP of 2.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluorobenzoyl)amino]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 69378466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).