N-cyclopropyl-5-(difluoromethyl)-3-fluoro-1H-pyrazole-4-carboxamide

C8H8F3N3O — CID 151547829

IUPACN-cyclopropyl-5-(difluoromethyl)-3-fluoro-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CC1)c1c(F)n[nH]c1C(F)F
InChIInChI=1S/C8H8F3N3O/c9-6(10)5-4(7(11)14-13-5)8(15)12-3-1-2-3/h3,6H,1-2H2,(H,12,15)(H,13,14)
InChIKeyPZVFCYMYIARZJC-UHFFFAOYSA-N
MW219.17 g/mol
LogP1.38
Rot. Bonds3

About N-cyclopropyl-5-(difluoromethyl)-3-fluoro-1H-pyrazole-4-carboxamide

N-cyclopropyl-5-(difluoromethyl)-3-fluoro-1H-pyrazole-4-carboxamide (PubChem CID 151547829) has the molecular formula C8H8F3N3O and a molecular weight of 219.17 g/mol. Its IUPAC name is N-cyclopropyl-5-(difluoromethyl)-3-fluoro-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-(difluoromethyl)-3-fluoro-1H-pyrazole-4-carboxamide
PubChem CID151547829
Molecular FormulaC8H8F3N3O
Molecular Weight219.17 g/mol
Exact Mass219.06
IUPAC NameN-cyclopropyl-5-(difluoromethyl)-3-fluoro-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CC1)c1c(F)n[nH]c1C(F)F
InChIInChI=1S/C8H8F3N3O/c9-6(10)5-4(7(11)14-13-5)8(15)12-3-1-2-3/h3,6H,1-2H2,(H,12,15)(H,13,14)
InChIKeyPZVFCYMYIARZJC-UHFFFAOYSA-N
XLogP1.38
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.17
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(difluoromethyl)-3-fluoro-1H-pyrazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-5-(difluoromethyl)-3-fluoro-1H-pyrazole-4-carboxamide (CID 151547829) is N-cyclopropyl-5-(difluoromethyl)-3-fluoro-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-(difluoromethyl)-3-fluoro-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-5-(difluoromethyl)-3-fluoro-1H-pyrazole-4-carboxamide is O=C(NC1CC1)c1c(F)n[nH]c1C(F)F.
What is the InChIKey of N-cyclopropyl-5-(difluoromethyl)-3-fluoro-1H-pyrazole-4-carboxamide?
The InChIKey is PZVFCYMYIARZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O/c9-6(10)5-4(7(11)14-13-5)8(15)12-3-1-2-3/h3,6H,1-2H2,(H,12,15)(H,13,14).
What are the key properties of N-cyclopropyl-5-(difluoromethyl)-3-fluoro-1H-pyrazole-4-carboxamide?
N-cyclopropyl-5-(difluoromethyl)-3-fluoro-1H-pyrazole-4-carboxamide has a molecular weight of 219.17 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(difluoromethyl)-3-fluoro-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 151547829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).