1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(1-cyclopropylethylcarbamoyl)phenyl]-3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)triazol-2-yl]methyl]pyrazole-5-carboxamide

C27H20Cl3F7N8O2 — CID 58507428

IUPAC1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(1-cyclopropylethylcarbamoyl)phenyl]-3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)triazol-2-yl]methyl]pyrazole-5-carboxamide
SMILESCC(NC(=O)c1cc(Cl)cc(Cl)c1NC(=O)c1cc(Cn2ncc(C(F)(C(F)(F)F)C(F)(F)F)n2)nn1-c1ncccc1Cl)C1CC1
InChIInChI=1S/C27H20Cl3F7N8O2/c1-12(13-4-5-13)40-23(46)16-7-14(28)8-18(30)21(16)41-24(47)19-9-15(42-45(19)22-17(29)3-2-6-38-22)11-44-39-10-20(43-44)25(31,26(32,33)34)27(35,36)37/h2-3,6-10,12-13H,4-5,11H2,1H3,(H,40,46)(H,41,47)
InChIKeyQYDXHVPKDFQVHE-UHFFFAOYSA-N
MW727.86 g/mol
LogP6.94
Rot. Bonds9

About 1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(1-cyclopropylethylcarbamoyl)phenyl]-3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)triazol-2-yl]methyl]pyrazole-5-carboxamide

1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(1-cyclopropylethylcarbamoyl)phenyl]-3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)triazol-2-yl]methyl]pyrazole-5-carboxamide (PubChem CID 58507428) has the molecular formula C27H20Cl3F7N8O2 and a molecular weight of 727.86 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(1-cyclopropylethylcarbamoyl)phenyl]-3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)triazol-2-yl]methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(1-cyclopropylethylcarbamoyl)phenyl]-3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)triazol-2-yl]methyl]pyrazole-5-carboxamide
PubChem CID58507428
Molecular FormulaC27H20Cl3F7N8O2
Molecular Weight727.86 g/mol
Exact Mass726.07
IUPAC Name1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(1-cyclopropylethylcarbamoyl)phenyl]-3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)triazol-2-yl]methyl]pyrazole-5-carboxamide
SMILESCC(NC(=O)c1cc(Cl)cc(Cl)c1NC(=O)c1cc(Cn2ncc(C(F)(C(F)(F)F)C(F)(F)F)n2)nn1-c1ncccc1Cl)C1CC1
InChIInChI=1S/C27H20Cl3F7N8O2/c1-12(13-4-5-13)40-23(46)16-7-14(28)8-18(30)21(16)41-24(47)19-9-15(42-45(19)22-17(29)3-2-6-38-22)11-44-39-10-20(43-44)25(31,26(32,33)34)27(35,36)37/h2-3,6-10,12-13H,4-5,11H2,1H3,(H,40,46)(H,41,47)
InChIKeyQYDXHVPKDFQVHE-UHFFFAOYSA-N
XLogP6.94
TPSA119.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.86
LogP ≤ 56.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(1-cyclopropylethylcarbamoyl)phenyl]-3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)triazol-2-yl]methyl]pyrazole-5-carboxamide with MolForge

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Related Compounds

1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-[[(2S)-1-methylsulfanylpropan-2-yl]carbamoyl]phenyl]-3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)triazol-2-yl]methyl]pyrazole-5-carboxamide
CID 58507310
1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(1-cyclopropylethylcarbamoyl)phenyl]-3-[[5-(difluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide
CID 59530116
N-[2-(tert-butylcarbamoyl)-4-chloro-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)triazol-2-yl]methyl]pyrazole-5-carboxamide
CID 58507114
N-[4-chloro-2-(1-cyclopropylethylcarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide
CID 59530445
N-[4-chloro-2-(1-cyclopropylethylcarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 11272470
3-[[4,5-bis(trifluoromethyl)triazol-2-yl]methyl]-1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-(1-cyclopropylethylcarbamoyl)-6-methylphenyl]pyrazole-5-carboxamide
CID 88881605
N-[4-chloro-2-(ethylcarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[[4-(1,1,2,2,2-pentafluoroethyl)triazol-2-yl]methyl]pyrazole-5-carboxamide
CID 88881535
1-(3-chloro-2-pyridinyl)-N-[2-(1-cyclopropylethylcarbamoyl)-4-fluoro-6-methylphenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide
CID 59530337
1-(3-chloro-2-pyridinyl)-N-[4-iodo-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-[[4-(trifluoromethyl)triazol-2-yl]methyl]pyrazole-5-carboxamide
CID 58507185
N-[2-(tert-butylcarbamoyl)-4-cyano-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)triazol-2-yl]methyl]pyrazole-5-carboxamide
CID 58507499
N-[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]-3-[[4-(1,1,2,2,3,3,3-heptafluoropropyl)triazol-2-yl]methyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide
CID 88881601
1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-(1-cyclopropylethylcarbamoyl)-6-methylphenyl]-3-[[4-(trifluoromethyl)triazol-1-yl]methyl]pyrazole-5-carboxamide
CID 58507259

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(1-cyclopropylethylcarbamoyl)phenyl]-3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)triazol-2-yl]methyl]pyrazole-5-carboxamide?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(1-cyclopropylethylcarbamoyl)phenyl]-3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)triazol-2-yl]methyl]pyrazole-5-carboxamide (CID 58507428) is 1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(1-cyclopropylethylcarbamoyl)phenyl]-3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)triazol-2-yl]methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(1-cyclopropylethylcarbamoyl)phenyl]-3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)triazol-2-yl]methyl]pyrazole-5-carboxamide?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(1-cyclopropylethylcarbamoyl)phenyl]-3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)triazol-2-yl]methyl]pyrazole-5-carboxamide is CC(NC(=O)c1cc(Cl)cc(Cl)c1NC(=O)c1cc(Cn2ncc(C(F)(C(F)(F)F)C(F)(F)F)n2)nn1-c1ncccc1Cl)C1CC1.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(1-cyclopropylethylcarbamoyl)phenyl]-3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)triazol-2-yl]methyl]pyrazole-5-carboxamide?
The InChIKey is QYDXHVPKDFQVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20Cl3F7N8O2/c1-12(13-4-5-13)40-23(46)16-7-14(28)8-18(30)21(16)41-24(47)19-9-15(42-45(19)22-17(29)3-2-6-38-22)11-44-39-10-20(43-44)25(31,26(32,33)34)27(35,36)37/h2-3,6-10,12-13H,4-5,11H2,1H3,(H,40,46)(H,41,47).
What are the key properties of 1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(1-cyclopropylethylcarbamoyl)phenyl]-3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)triazol-2-yl]methyl]pyrazole-5-carboxamide?
1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(1-cyclopropylethylcarbamoyl)phenyl]-3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)triazol-2-yl]methyl]pyrazole-5-carboxamide has a molecular weight of 727.86 g/mol, XLogP of 6.94, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(1-cyclopropylethylcarbamoyl)phenyl]-3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)triazol-2-yl]methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 58507428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).