N-[4-(difluoromethoxy)phenyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide

C15H17F2N3O2 — CID 55738892

IUPACN-[4-(difluoromethoxy)phenyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)Nc2ccc(OC(F)F)cc2)n[nH]1
InChIInChI=1S/C15H17F2N3O2/c1-9(2)7-11-8-13(20-19-11)14(21)18-10-3-5-12(6-4-10)22-15(16)17/h3-6,8-9,15H,7H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyDBFOWXGQVIJCFI-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.46
Rot. Bonds6

About N-[4-(difluoromethoxy)phenyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide

N-[4-(difluoromethoxy)phenyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide (PubChem CID 55738892) has the molecular formula C15H17F2N3O2 and a molecular weight of 309.32 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
PubChem CID55738892
Molecular FormulaC15H17F2N3O2
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC NameN-[4-(difluoromethoxy)phenyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)Nc2ccc(OC(F)F)cc2)n[nH]1
InChIInChI=1S/C15H17F2N3O2/c1-9(2)7-11-8-13(20-19-11)14(21)18-10-3-5-12(6-4-10)22-15(16)17/h3-6,8-9,15H,7H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyDBFOWXGQVIJCFI-UHFFFAOYSA-N
XLogP3.46
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55741644
N-[4-(diethylamino)phenyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55910471
N-(3-bromophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55741020
5-(2-methylpropyl)-N-(6-phenylmethoxy-3-pyridinyl)-1H-pyrazole-3-carboxamide
CID 55993733
5-(2-methylpropyl)-N-[3-(2-methylpropylcarbamoyl)phenyl]-1H-pyrazole-3-carboxamide
CID 131931699
N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 131939383
N-(5-chloro-2-methylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55738543
N-(2-ethoxy-4-fluorophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 87046319
N-[4-(difluoromethoxy)phenyl]-5-methylpyrazine-2-carboxamide
CID 2447949
N-(5-chloro-2-ethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55982116
N-(1H-benzimidazol-2-yl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 60540872
5-bromo-N-[4-(difluoromethoxy)phenyl]pyridine-2-carboxamide
CID 62953190

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide (CID 55738892) is N-[4-(difluoromethoxy)phenyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide is CC(C)Cc1cc(C(=O)Nc2ccc(OC(F)F)cc2)n[nH]1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The InChIKey is DBFOWXGQVIJCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O2/c1-9(2)7-11-8-13(20-19-11)14(21)18-10-3-5-12(6-4-10)22-15(16)17/h3-6,8-9,15H,7H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
N-[4-(difluoromethoxy)phenyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide has a molecular weight of 309.32 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55738892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).