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

C19H21F2N3O — CID 147266616

IUPACN-[2-[(1R,2S)-2-cyclopropyl-2-methylcyclopropyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccccc2[C@@H]2C[C@@]2(C)C2CC2)c(C(F)F)n1
InChIInChI=1S/C19H21F2N3O/c1-19(11-7-8-11)9-14(19)12-5-3-4-6-15(12)22-18(25)13-10-24(2)23-16(13)17(20)21/h3-6,10-11,14,17H,7-9H2,1-2H3,(H,22,25)/t14-,19-/m0/s1
InChIKeyCPPOQKHRMUYUFP-LIRRHRJNSA-N
MW345.39 g/mol
LogP4.51
Rot. Bonds5

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

N-[2-[(1R,2S)-2-cyclopropyl-2-methylcyclopropyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide (PubChem CID 147266616) has the molecular formula C19H21F2N3O and a molecular weight of 345.39 g/mol. Its IUPAC name is N-[2-[(1R,2S)-2-cyclopropyl-2-methylcyclopropyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(1R,2S)-2-cyclopropyl-2-methylcyclopropyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
PubChem CID147266616
Molecular FormulaC19H21F2N3O
Molecular Weight345.39 g/mol
Exact Mass345.17
IUPAC NameN-[2-[(1R,2S)-2-cyclopropyl-2-methylcyclopropyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccccc2[C@@H]2C[C@@]2(C)C2CC2)c(C(F)F)n1
InChIInChI=1S/C19H21F2N3O/c1-19(11-7-8-11)9-14(19)12-5-3-4-6-15(12)22-18(25)13-10-24(2)23-16(13)17(20)21/h3-6,10-11,14,17H,7-9H2,1-2H3,(H,22,25)/t14-,19-/m0/s1
InChIKeyCPPOQKHRMUYUFP-LIRRHRJNSA-N
XLogP4.51
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1R,2S)-2-cyclopropyl-2-methylcyclopropyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[2-[(1R,2S)-2-cyclopropyl-2-methylcyclopropyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide (CID 147266616) is N-[2-[(1R,2S)-2-cyclopropyl-2-methylcyclopropyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-[(1R,2S)-2-cyclopropyl-2-methylcyclopropyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-[(1R,2S)-2-cyclopropyl-2-methylcyclopropyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)Nc2ccccc2[C@@H]2C[C@@]2(C)C2CC2)c(C(F)F)n1.
What is the InChIKey of N-[2-[(1R,2S)-2-cyclopropyl-2-methylcyclopropyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is CPPOQKHRMUYUFP-LIRRHRJNSA-N. The full InChI is InChI=1S/C19H21F2N3O/c1-19(11-7-8-11)9-14(19)12-5-3-4-6-15(12)22-18(25)13-10-24(2)23-16(13)17(20)21/h3-6,10-11,14,17H,7-9H2,1-2H3,(H,22,25)/t14-,19-/m0/s1.
What are the key properties of N-[2-[(1R,2S)-2-cyclopropyl-2-methylcyclopropyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
N-[2-[(1R,2S)-2-cyclopropyl-2-methylcyclopropyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 345.39 g/mol, XLogP of 4.51, 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-cyclopropyl-2-methylcyclopropyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 147266616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).