1-(3-chloro-2-pyridinyl)-N-[2-methyl-6-(methylcarbamoyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide

C25H18ClF6N11O2 — CID 58047947

IUPAC1-(3-chloro-2-pyridinyl)-N-[2-methyl-6-(methylcarbamoyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide
SMILESCNC(=O)c1cc(-n2ccc(C(F)(F)F)n2)cc(C)c1NC(=O)c1cc(Cn2nnc(C(F)(F)F)n2)nn1-c1ncccc1Cl
InChIInChI=1S/C25H18ClF6N11O2/c1-12-8-14(41-7-5-18(38-41)24(27,28)29)10-15(21(44)33-2)19(12)35-22(45)17-9-13(11-42-39-23(36-40-42)25(30,31)32)37-43(17)20-16(26)4-3-6-34-20/h3-10H,11H2,1-2H3,(H,33,44)(H,35,45)
InChIKeyQFMSIXFZSFZXCZ-UHFFFAOYSA-N
MW653.94 g/mol
LogP4.10
Rot. Bonds7

About 1-(3-chloro-2-pyridinyl)-N-[2-methyl-6-(methylcarbamoyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide

1-(3-chloro-2-pyridinyl)-N-[2-methyl-6-(methylcarbamoyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide (PubChem CID 58047947) has the molecular formula C25H18ClF6N11O2 and a molecular weight of 653.94 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-N-[2-methyl-6-(methylcarbamoyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-N-[2-methyl-6-(methylcarbamoyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide
PubChem CID58047947
Molecular FormulaC25H18ClF6N11O2
Molecular Weight653.94 g/mol
Exact Mass653.12
IUPAC Name1-(3-chloro-2-pyridinyl)-N-[2-methyl-6-(methylcarbamoyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide
SMILESCNC(=O)c1cc(-n2ccc(C(F)(F)F)n2)cc(C)c1NC(=O)c1cc(Cn2nnc(C(F)(F)F)n2)nn1-c1ncccc1Cl
InChIInChI=1S/C25H18ClF6N11O2/c1-12-8-14(41-7-5-18(38-41)24(27,28)29)10-15(21(44)33-2)19(12)35-22(45)17-9-13(11-42-39-23(36-40-42)25(30,31)32)37-43(17)20-16(26)4-3-6-34-20/h3-10H,11H2,1-2H3,(H,33,44)(H,35,45)
InChIKeyQFMSIXFZSFZXCZ-UHFFFAOYSA-N
XLogP4.10
TPSA150.33 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.94
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 1-(3-chloro-2-pyridinyl)-N-[2-methyl-6-(methylcarbamoyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-N-[2-methyl-6-(methylcarbamoyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-N-[2-methyl-6-(methylcarbamoyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide (CID 58047947) is 1-(3-chloro-2-pyridinyl)-N-[2-methyl-6-(methylcarbamoyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-N-[2-methyl-6-(methylcarbamoyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-N-[2-methyl-6-(methylcarbamoyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide is CNC(=O)c1cc(-n2ccc(C(F)(F)F)n2)cc(C)c1NC(=O)c1cc(Cn2nnc(C(F)(F)F)n2)nn1-c1ncccc1Cl.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-N-[2-methyl-6-(methylcarbamoyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide?
The InChIKey is QFMSIXFZSFZXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClF6N11O2/c1-12-8-14(41-7-5-18(38-41)24(27,28)29)10-15(21(44)33-2)19(12)35-22(45)17-9-13(11-42-39-23(36-40-42)25(30,31)32)37-43(17)20-16(26)4-3-6-34-20/h3-10H,11H2,1-2H3,(H,33,44)(H,35,45).
What are the key properties of 1-(3-chloro-2-pyridinyl)-N-[2-methyl-6-(methylcarbamoyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide?
1-(3-chloro-2-pyridinyl)-N-[2-methyl-6-(methylcarbamoyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide has a molecular weight of 653.94 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-N-[2-methyl-6-(methylcarbamoyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 58047947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).