N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[1-[3-thiophen-3-yl-5-(trifluoromethyl)-2-pyridinyl]propan-2-yl]pyrazole-4-carboxamide

C22H20F6N4OS — CID 122625657

IUPACN-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[1-[3-thiophen-3-yl-5-(trifluoromethyl)-2-pyridinyl]propan-2-yl]pyrazole-4-carboxamide
SMILESCC(Cc1ncc(C(F)(F)F)cc1-c1ccsc1)N(C(=O)c1c(C(F)F)nn(C)c1F)C1CC1
InChIInChI=1S/C22H20F6N4OS/c1-11(7-16-15(12-5-6-34-10-12)8-13(9-29-16)22(26,27)28)32(14-3-4-14)21(33)17-18(19(23)24)30-31(2)20(17)25/h5-6,8-11,14,19H,3-4,7H2,1-2H3
InChIKeyCAZYLWSSURHEQM-UHFFFAOYSA-N
MW502.48 g/mol
LogP5.87
Rot. Bonds7

About N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[1-[3-thiophen-3-yl-5-(trifluoromethyl)-2-pyridinyl]propan-2-yl]pyrazole-4-carboxamide

N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[1-[3-thiophen-3-yl-5-(trifluoromethyl)-2-pyridinyl]propan-2-yl]pyrazole-4-carboxamide (PubChem CID 122625657) has the molecular formula C22H20F6N4OS and a molecular weight of 502.48 g/mol. Its IUPAC name is N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[1-[3-thiophen-3-yl-5-(trifluoromethyl)-2-pyridinyl]propan-2-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[1-[3-thiophen-3-yl-5-(trifluoromethyl)-2-pyridinyl]propan-2-yl]pyrazole-4-carboxamide
PubChem CID122625657
Molecular FormulaC22H20F6N4OS
Molecular Weight502.48 g/mol
Exact Mass502.13
IUPAC NameN-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[1-[3-thiophen-3-yl-5-(trifluoromethyl)-2-pyridinyl]propan-2-yl]pyrazole-4-carboxamide
SMILESCC(Cc1ncc(C(F)(F)F)cc1-c1ccsc1)N(C(=O)c1c(C(F)F)nn(C)c1F)C1CC1
InChIInChI=1S/C22H20F6N4OS/c1-11(7-16-15(12-5-6-34-10-12)8-13(9-29-16)22(26,27)28)32(14-3-4-14)21(33)17-18(19(23)24)30-31(2)20(17)25/h5-6,8-11,14,19H,3-4,7H2,1-2H3
InChIKeyCAZYLWSSURHEQM-UHFFFAOYSA-N
XLogP5.87
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.48
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[1-[3-thiophen-3-yl-5-(trifluoromethyl)-2-pyridinyl]propan-2-yl]pyrazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[1-[3-thiophen-3-yl-5-(trifluoromethyl)-2-pyridinyl]propan-2-yl]pyrazole-4-carboxamide (CID 122625657) is N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[1-[3-thiophen-3-yl-5-(trifluoromethyl)-2-pyridinyl]propan-2-yl]pyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[1-[3-thiophen-3-yl-5-(trifluoromethyl)-2-pyridinyl]propan-2-yl]pyrazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[1-[3-thiophen-3-yl-5-(trifluoromethyl)-2-pyridinyl]propan-2-yl]pyrazole-4-carboxamide is CC(Cc1ncc(C(F)(F)F)cc1-c1ccsc1)N(C(=O)c1c(C(F)F)nn(C)c1F)C1CC1.
What is the InChIKey of N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[1-[3-thiophen-3-yl-5-(trifluoromethyl)-2-pyridinyl]propan-2-yl]pyrazole-4-carboxamide?
The InChIKey is CAZYLWSSURHEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F6N4OS/c1-11(7-16-15(12-5-6-34-10-12)8-13(9-29-16)22(26,27)28)32(14-3-4-14)21(33)17-18(19(23)24)30-31(2)20(17)25/h5-6,8-11,14,19H,3-4,7H2,1-2H3.
What are the key properties of N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[1-[3-thiophen-3-yl-5-(trifluoromethyl)-2-pyridinyl]propan-2-yl]pyrazole-4-carboxamide?
N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[1-[3-thiophen-3-yl-5-(trifluoromethyl)-2-pyridinyl]propan-2-yl]pyrazole-4-carboxamide has a molecular weight of 502.48 g/mol, XLogP of 5.87, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[1-[3-thiophen-3-yl-5-(trifluoromethyl)-2-pyridinyl]propan-2-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 122625657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).