1-ethyl-4-[(4-fluorobenzoyl)amino]-3-methylpyrazole-5-carboxamide

C14H15FN4O2 — CID 75537911

IUPAC1-ethyl-4-[(4-fluorobenzoyl)amino]-3-methylpyrazole-5-carboxamide
SMILESCCn1nc(C)c(NC(=O)c2ccc(F)cc2)c1C(N)=O
InChIInChI=1S/C14H15FN4O2/c1-3-19-12(13(16)20)11(8(2)18-19)17-14(21)9-4-6-10(15)7-5-9/h4-7H,3H2,1-2H3,(H2,16,20)(H,17,21)
InChIKeyZBVNYIPLAKIHLT-UHFFFAOYSA-N
MW290.30 g/mol
LogP1.70
Rot. Bonds4

About 1-ethyl-4-[(4-fluorobenzoyl)amino]-3-methylpyrazole-5-carboxamide

1-ethyl-4-[(4-fluorobenzoyl)amino]-3-methylpyrazole-5-carboxamide (PubChem CID 75537911) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is 1-ethyl-4-[(4-fluorobenzoyl)amino]-3-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-[(4-fluorobenzoyl)amino]-3-methylpyrazole-5-carboxamide
PubChem CID75537911
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC Name1-ethyl-4-[(4-fluorobenzoyl)amino]-3-methylpyrazole-5-carboxamide
SMILESCCn1nc(C)c(NC(=O)c2ccc(F)cc2)c1C(N)=O
InChIInChI=1S/C14H15FN4O2/c1-3-19-12(13(16)20)11(8(2)18-19)17-14(21)9-4-6-10(15)7-5-9/h4-7H,3H2,1-2H3,(H2,16,20)(H,17,21)
InChIKeyZBVNYIPLAKIHLT-UHFFFAOYSA-N
XLogP1.70
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(4-fluorobenzoyl)amino]-3-methylpyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-4-[(4-fluorobenzoyl)amino]-3-methylpyrazole-5-carboxamide (CID 75537911) is 1-ethyl-4-[(4-fluorobenzoyl)amino]-3-methylpyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-4-[(4-fluorobenzoyl)amino]-3-methylpyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-4-[(4-fluorobenzoyl)amino]-3-methylpyrazole-5-carboxamide is CCn1nc(C)c(NC(=O)c2ccc(F)cc2)c1C(N)=O.
What is the InChIKey of 1-ethyl-4-[(4-fluorobenzoyl)amino]-3-methylpyrazole-5-carboxamide?
The InChIKey is ZBVNYIPLAKIHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2/c1-3-19-12(13(16)20)11(8(2)18-19)17-14(21)9-4-6-10(15)7-5-9/h4-7H,3H2,1-2H3,(H2,16,20)(H,17,21).
What are the key properties of 1-ethyl-4-[(4-fluorobenzoyl)amino]-3-methylpyrazole-5-carboxamide?
1-ethyl-4-[(4-fluorobenzoyl)amino]-3-methylpyrazole-5-carboxamide has a molecular weight of 290.30 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(4-fluorobenzoyl)amino]-3-methylpyrazole-5-carboxamide is sourced from PubChem (CID 75537911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).