N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-cyclopropyl-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide

C18H16ClF3N8O2 — CID 171813343

IUPACN-(2-carbamoyl-4-chloro-6-methylphenyl)-1-cyclopropyl-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide
SMILESCc1cc(Cl)cc(C(N)=O)c1NC(=O)c1cc(Cn2nnc(C(F)(F)F)n2)nn1C1CC1
InChIInChI=1S/C18H16ClF3N8O2/c1-8-4-9(19)5-12(15(23)31)14(8)24-16(32)13-6-10(26-30(13)11-2-3-11)7-29-27-17(25-28-29)18(20,21)22/h4-6,11H,2-3,7H2,1H3,(H2,23,31)(H,24,32)
InChIKeyWCUPBJVYOMWTAU-UHFFFAOYSA-N
MW468.83 g/mol
LogP2.58
Rot. Bonds6

About N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-cyclopropyl-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide

N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-cyclopropyl-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide (PubChem CID 171813343) has the molecular formula C18H16ClF3N8O2 and a molecular weight of 468.83 g/mol. Its IUPAC name is N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-cyclopropyl-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoyl-4-chloro-6-methylphenyl)-1-cyclopropyl-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide
PubChem CID171813343
Molecular FormulaC18H16ClF3N8O2
Molecular Weight468.83 g/mol
Exact Mass468.10
IUPAC NameN-(2-carbamoyl-4-chloro-6-methylphenyl)-1-cyclopropyl-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide
SMILESCc1cc(Cl)cc(C(N)=O)c1NC(=O)c1cc(Cn2nnc(C(F)(F)F)n2)nn1C1CC1
InChIInChI=1S/C18H16ClF3N8O2/c1-8-4-9(19)5-12(15(23)31)14(8)24-16(32)13-6-10(26-30(13)11-2-3-11)7-29-27-17(25-28-29)18(20,21)22/h4-6,11H,2-3,7H2,1H3,(H2,23,31)(H,24,32)
InChIKeyWCUPBJVYOMWTAU-UHFFFAOYSA-N
XLogP2.58
TPSA133.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.83
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-cyclopropyl-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide?
The IUPAC name of N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-cyclopropyl-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide (CID 171813343) is N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-cyclopropyl-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-cyclopropyl-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide?
The canonical SMILES for N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-cyclopropyl-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide is Cc1cc(Cl)cc(C(N)=O)c1NC(=O)c1cc(Cn2nnc(C(F)(F)F)n2)nn1C1CC1.
What is the InChIKey of N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-cyclopropyl-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide?
The InChIKey is WCUPBJVYOMWTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N8O2/c1-8-4-9(19)5-12(15(23)31)14(8)24-16(32)13-6-10(26-30(13)11-2-3-11)7-29-27-17(25-28-29)18(20,21)22/h4-6,11H,2-3,7H2,1H3,(H2,23,31)(H,24,32).
What are the key properties of N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-cyclopropyl-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide?
N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-cyclopropyl-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide has a molecular weight of 468.83 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-cyclopropyl-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 171813343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).