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

C15H11FN4O3 — CID 59733508

IUPACN-(4-fluorophenyl)-4-(furan-2-carbonylamino)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cn[nH]c1C(=O)Nc1ccc(F)cc1)c1ccco1
InChIInChI=1S/C15H11FN4O3/c16-9-3-5-10(6-4-9)18-15(22)13-11(8-17-20-13)19-14(21)12-2-1-7-23-12/h1-8H,(H,17,20)(H,18,22)(H,19,21)
InChIKeyIVVUHUPHVCXWSP-UHFFFAOYSA-N
MW314.28 g/mol
LogP2.65
Rot. Bonds4

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

N-(4-fluorophenyl)-4-(furan-2-carbonylamino)-1H-pyrazole-5-carboxamide (PubChem CID 59733508) has the molecular formula C15H11FN4O3 and a molecular weight of 314.28 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-(furan-2-carbonylamino)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-(furan-2-carbonylamino)-1H-pyrazole-5-carboxamide
PubChem CID59733508
Molecular FormulaC15H11FN4O3
Molecular Weight314.28 g/mol
Exact Mass314.08
IUPAC NameN-(4-fluorophenyl)-4-(furan-2-carbonylamino)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cn[nH]c1C(=O)Nc1ccc(F)cc1)c1ccco1
InChIInChI=1S/C15H11FN4O3/c16-9-3-5-10(6-4-9)18-15(22)13-11(8-17-20-13)19-14(21)12-2-1-7-23-12/h1-8H,(H,17,20)(H,18,22)(H,19,21)
InChIKeyIVVUHUPHVCXWSP-UHFFFAOYSA-N
XLogP2.65
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.28
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-(furan-2-carbonylamino)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-(furan-2-carbonylamino)-1H-pyrazole-5-carboxamide (CID 59733508) is N-(4-fluorophenyl)-4-(furan-2-carbonylamino)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-(furan-2-carbonylamino)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-(furan-2-carbonylamino)-1H-pyrazole-5-carboxamide is O=C(Nc1cn[nH]c1C(=O)Nc1ccc(F)cc1)c1ccco1.
What is the InChIKey of N-(4-fluorophenyl)-4-(furan-2-carbonylamino)-1H-pyrazole-5-carboxamide?
The InChIKey is IVVUHUPHVCXWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O3/c16-9-3-5-10(6-4-9)18-15(22)13-11(8-17-20-13)19-14(21)12-2-1-7-23-12/h1-8H,(H,17,20)(H,18,22)(H,19,21).
What are the key properties of N-(4-fluorophenyl)-4-(furan-2-carbonylamino)-1H-pyrazole-5-carboxamide?
N-(4-fluorophenyl)-4-(furan-2-carbonylamino)-1H-pyrazole-5-carboxamide has a molecular weight of 314.28 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-(furan-2-carbonylamino)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 59733508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).