N-[2-[(1R,2S)-2-cyclopropylcyclopropyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide

C18H19F2N3O — CID 11493659

IUPACN-[2-[(1R,2S)-2-cyclopropylcyclopropyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccccc2[C@@H]2C[C@H]2C2CC2)c(C(F)F)n1
InChIInChI=1S/C18H19F2N3O/c1-23-9-14(16(22-23)17(19)20)18(24)21-15-5-3-2-4-11(15)13-8-12(13)10-6-7-10/h2-5,9-10,12-13,17H,6-8H2,1H3,(H,21,24)/t12-,13-/m0/s1
InChIKeyXQJQCBDIXRIYRP-STQMWFEESA-N
MW331.37 g/mol
LogP4.12
Rot. Bonds5

About N-[2-[(1R,2S)-2-cyclopropylcyclopropyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide

N-[2-[(1R,2S)-2-cyclopropylcyclopropyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide (PubChem CID 11493659) has the molecular formula C18H19F2N3O and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[2-[(1R,2S)-2-cyclopropylcyclopropyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(1R,2S)-2-cyclopropylcyclopropyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
PubChem CID11493659
Molecular FormulaC18H19F2N3O
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN-[2-[(1R,2S)-2-cyclopropylcyclopropyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccccc2[C@@H]2C[C@H]2C2CC2)c(C(F)F)n1
InChIInChI=1S/C18H19F2N3O/c1-23-9-14(16(22-23)17(19)20)18(24)21-15-5-3-2-4-11(15)13-8-12(13)10-6-7-10/h2-5,9-10,12-13,17H,6-8H2,1H3,(H,21,24)/t12-,13-/m0/s1
InChIKeyXQJQCBDIXRIYRP-STQMWFEESA-N
XLogP4.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-cyclopropylcyclopropyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 16718598
cyclopropane;N-(2-cyclopropylphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide;ethane
CID 143209520
N-[2-(2-cyclopropylcyclopropyl)phenyl]-5-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 59685873
N-[2-[(1R,2S)-2-cyclopropyl-2-methylcyclopropyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 147266616
3-(difluoromethyl)-1-methyl-N-[(1R)-11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]pyrazole-4-carboxamide
CID 71206075
N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carbothioamide
CID 19754686
N-[(1S,8R)-11-(dichloromethylidene)-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 51347655
N-(2-carbamoylphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 174988541
N-[2-(2-cyclopropylcyclopropyl)phenyl]-3-(difluoromethyl)-5-[3-(difluoromethyl)-1-methyl-4-[[2-(3,4,5-trifluorophenyl)phenyl]carbamoyl]pyrazol-5-yl]-1-methylpyrazole-4-carboxamide
CID 87445064
[(Z)-chloro-[3-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]-11-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienylidene]methyl]chloranium
CID 147725973
3-(difluoromethyl)-1-methyl-N-(1-propan-2-yl-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-4-yl)pyrazole-4-carboxamide
CID 150122085
N-[6-(dichloromethylidene)-5-methyl-7,8-dihydro-5H-naphthalen-1-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 141354776

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1R,2S)-2-cyclopropylcyclopropyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[2-[(1R,2S)-2-cyclopropylcyclopropyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide (CID 11493659) is N-[2-[(1R,2S)-2-cyclopropylcyclopropyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-[(1R,2S)-2-cyclopropylcyclopropyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-[(1R,2S)-2-cyclopropylcyclopropyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)Nc2ccccc2[C@@H]2C[C@H]2C2CC2)c(C(F)F)n1.
What is the InChIKey of N-[2-[(1R,2S)-2-cyclopropylcyclopropyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is XQJQCBDIXRIYRP-STQMWFEESA-N. The full InChI is InChI=1S/C18H19F2N3O/c1-23-9-14(16(22-23)17(19)20)18(24)21-15-5-3-2-4-11(15)13-8-12(13)10-6-7-10/h2-5,9-10,12-13,17H,6-8H2,1H3,(H,21,24)/t12-,13-/m0/s1.
What are the key properties of N-[2-[(1R,2S)-2-cyclopropylcyclopropyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
N-[2-[(1R,2S)-2-cyclopropylcyclopropyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1R,2S)-2-cyclopropylcyclopropyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 11493659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).