N-[2-(2-cyclopropylcyclopropyl)phenyl]-5-(difluoromethyl)-2-methyl-1H-pyrazole-5-carboxamide

C18H21F2N3O — CID 67200709

IUPACN-[2-(2-cyclopropylcyclopropyl)phenyl]-5-(difluoromethyl)-2-methyl-1H-pyrazole-5-carboxamide
SMILESCN1C=CC(C(=O)Nc2ccccc2C2CC2C2CC2)(C(F)F)N1
InChIInChI=1S/C18H21F2N3O/c1-23-9-8-18(22-23,16(19)20)17(24)21-15-5-3-2-4-12(15)14-10-13(14)11-6-7-11/h2-5,8-9,11,13-14,16,22H,6-7,10H2,1H3,(H,21,24)
InChIKeySWEPXSSYRZTDPR-UHFFFAOYSA-N
MW333.38 g/mol
LogP3.11
Rot. Bonds5

About N-[2-(2-cyclopropylcyclopropyl)phenyl]-5-(difluoromethyl)-2-methyl-1H-pyrazole-5-carboxamide

N-[2-(2-cyclopropylcyclopropyl)phenyl]-5-(difluoromethyl)-2-methyl-1H-pyrazole-5-carboxamide (PubChem CID 67200709) has the molecular formula C18H21F2N3O and a molecular weight of 333.38 g/mol. Its IUPAC name is N-[2-(2-cyclopropylcyclopropyl)phenyl]-5-(difluoromethyl)-2-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-cyclopropylcyclopropyl)phenyl]-5-(difluoromethyl)-2-methyl-1H-pyrazole-5-carboxamide
PubChem CID67200709
Molecular FormulaC18H21F2N3O
Molecular Weight333.38 g/mol
Exact Mass333.17
IUPAC NameN-[2-(2-cyclopropylcyclopropyl)phenyl]-5-(difluoromethyl)-2-methyl-1H-pyrazole-5-carboxamide
SMILESCN1C=CC(C(=O)Nc2ccccc2C2CC2C2CC2)(C(F)F)N1
InChIInChI=1S/C18H21F2N3O/c1-23-9-8-18(22-23,16(19)20)17(24)21-15-5-3-2-4-12(15)14-10-13(14)11-6-7-11/h2-5,8-9,11,13-14,16,22H,6-7,10H2,1H3,(H,21,24)
InChIKeySWEPXSSYRZTDPR-UHFFFAOYSA-N
XLogP3.11
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyclopropylcyclopropyl)phenyl]-5-(difluoromethyl)-2-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-(2-cyclopropylcyclopropyl)phenyl]-5-(difluoromethyl)-2-methyl-1H-pyrazole-5-carboxamide (CID 67200709) is N-[2-(2-cyclopropylcyclopropyl)phenyl]-5-(difluoromethyl)-2-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(2-cyclopropylcyclopropyl)phenyl]-5-(difluoromethyl)-2-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(2-cyclopropylcyclopropyl)phenyl]-5-(difluoromethyl)-2-methyl-1H-pyrazole-5-carboxamide is CN1C=CC(C(=O)Nc2ccccc2C2CC2C2CC2)(C(F)F)N1.
What is the InChIKey of N-[2-(2-cyclopropylcyclopropyl)phenyl]-5-(difluoromethyl)-2-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is SWEPXSSYRZTDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O/c1-23-9-8-18(22-23,16(19)20)17(24)21-15-5-3-2-4-12(15)14-10-13(14)11-6-7-11/h2-5,8-9,11,13-14,16,22H,6-7,10H2,1H3,(H,21,24).
What are the key properties of N-[2-(2-cyclopropylcyclopropyl)phenyl]-5-(difluoromethyl)-2-methyl-1H-pyrazole-5-carboxamide?
N-[2-(2-cyclopropylcyclopropyl)phenyl]-5-(difluoromethyl)-2-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 333.38 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyclopropylcyclopropyl)phenyl]-5-(difluoromethyl)-2-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 67200709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).