5-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)-1H-pyrazole-4-carboxamide

C14H12FN5O — CID 16622153

IUPAC5-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)-1H-pyrazole-4-carboxamide
SMILESCn1ccc(NC(=O)c2cn[nH]c2-c2ccc(F)cc2)n1
InChIInChI=1S/C14H12FN5O/c1-20-7-6-12(19-20)17-14(21)11-8-16-18-13(11)9-2-4-10(15)5-3-9/h2-8H,1H3,(H,16,18)(H,17,19,21)
InChIKeyAWMLKPZPFXXAPA-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.20
Rot. Bonds3

About 5-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)-1H-pyrazole-4-carboxamide

5-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)-1H-pyrazole-4-carboxamide (PubChem CID 16622153) has the molecular formula C14H12FN5O and a molecular weight of 285.28 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)-1H-pyrazole-4-carboxamide
PubChem CID16622153
Molecular FormulaC14H12FN5O
Molecular Weight285.28 g/mol
Exact Mass285.10
IUPAC Name5-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)-1H-pyrazole-4-carboxamide
SMILESCn1ccc(NC(=O)c2cn[nH]c2-c2ccc(F)cc2)n1
InChIInChI=1S/C14H12FN5O/c1-20-7-6-12(19-20)17-14(21)11-8-16-18-13(11)9-2-4-10(15)5-3-9/h2-8H,1H3,(H,16,18)(H,17,19,21)
InChIKeyAWMLKPZPFXXAPA-UHFFFAOYSA-N
XLogP2.20
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)-1H-pyrazole-4-carboxamide (CID 16622153) is 5-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)-1H-pyrazole-4-carboxamide is Cn1ccc(NC(=O)c2cn[nH]c2-c2ccc(F)cc2)n1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is AWMLKPZPFXXAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5O/c1-20-7-6-12(19-20)17-14(21)11-8-16-18-13(11)9-2-4-10(15)5-3-9/h2-8H,1H3,(H,16,18)(H,17,19,21).
What are the key properties of 5-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)-1H-pyrazole-4-carboxamide?
5-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 285.28 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 16622153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).