4-butyl-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide

C14H15ClFN3O — CID 86619651

IUPAC4-butyl-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESCCCCc1cn[nH]c1C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C14H15ClFN3O/c1-2-3-4-9-8-17-19-13(9)14(20)18-12-6-5-10(16)7-11(12)15/h5-8H,2-4H2,1H3,(H,17,19)(H,18,20)
InChIKeyMEIXXEMIWWLBSV-UHFFFAOYSA-N
MW295.75 g/mol
LogP3.80
Rot. Bonds5

About 4-butyl-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide

4-butyl-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 86619651) has the molecular formula C14H15ClFN3O and a molecular weight of 295.75 g/mol. Its IUPAC name is 4-butyl-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-butyl-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID86619651
Molecular FormulaC14H15ClFN3O
Molecular Weight295.75 g/mol
Exact Mass295.09
IUPAC Name4-butyl-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESCCCCc1cn[nH]c1C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C14H15ClFN3O/c1-2-3-4-9-8-17-19-13(9)14(20)18-12-6-5-10(16)7-11(12)15/h5-8H,2-4H2,1H3,(H,17,19)(H,18,20)
InChIKeyMEIXXEMIWWLBSV-UHFFFAOYSA-N
XLogP3.80
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-butyl-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide (CID 86619651) is 4-butyl-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-butyl-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-butyl-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide is CCCCc1cn[nH]c1C(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of 4-butyl-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is MEIXXEMIWWLBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O/c1-2-3-4-9-8-17-19-13(9)14(20)18-12-6-5-10(16)7-11(12)15/h5-8H,2-4H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 4-butyl-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide?
4-butyl-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 295.75 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 86619651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).