N-cyclopropyl-1-(difluoromethyl)-N,5-dimethylpyrazole-3-carboxamide

C10H13F2N3O — CID 126783058

IUPACN-cyclopropyl-1-(difluoromethyl)-N,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)C2CC2)nn1C(F)F
InChIInChI=1S/C10H13F2N3O/c1-6-5-8(13-15(6)10(11)12)9(16)14(2)7-3-4-7/h5,7,10H,3-4H2,1-2H3
InChIKeyNDGFLXUMKYMQRN-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.82
Rot. Bonds3

About N-cyclopropyl-1-(difluoromethyl)-N,5-dimethylpyrazole-3-carboxamide

N-cyclopropyl-1-(difluoromethyl)-N,5-dimethylpyrazole-3-carboxamide (PubChem CID 126783058) has the molecular formula C10H13F2N3O and a molecular weight of 229.23 g/mol. Its IUPAC name is N-cyclopropyl-1-(difluoromethyl)-N,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(difluoromethyl)-N,5-dimethylpyrazole-3-carboxamide
PubChem CID126783058
Molecular FormulaC10H13F2N3O
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC NameN-cyclopropyl-1-(difluoromethyl)-N,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)C2CC2)nn1C(F)F
InChIInChI=1S/C10H13F2N3O/c1-6-5-8(13-15(6)10(11)12)9(16)14(2)7-3-4-7/h5,7,10H,3-4H2,1-2H3
InChIKeyNDGFLXUMKYMQRN-UHFFFAOYSA-N
XLogP1.82
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(difluoromethyl)-N,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-(difluoromethyl)-N,5-dimethylpyrazole-3-carboxamide (CID 126783058) is N-cyclopropyl-1-(difluoromethyl)-N,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(difluoromethyl)-N,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(difluoromethyl)-N,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)N(C)C2CC2)nn1C(F)F.
What is the InChIKey of N-cyclopropyl-1-(difluoromethyl)-N,5-dimethylpyrazole-3-carboxamide?
The InChIKey is NDGFLXUMKYMQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O/c1-6-5-8(13-15(6)10(11)12)9(16)14(2)7-3-4-7/h5,7,10H,3-4H2,1-2H3.
What are the key properties of N-cyclopropyl-1-(difluoromethyl)-N,5-dimethylpyrazole-3-carboxamide?
N-cyclopropyl-1-(difluoromethyl)-N,5-dimethylpyrazole-3-carboxamide has a molecular weight of 229.23 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(difluoromethyl)-N,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 126783058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).