N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide

C16H14ClF5N8O3 — CID 168840882

IUPACN-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCN1NNN=C1NC(=O)c1ccc(OC(F)F)c(NC(=O)c2cn(C)nc2C(F)(F)F)c1Cl
InChIInChI=1S/C16H14ClF5N8O3/c1-29-5-7(11(26-29)16(20,21)22)13(32)23-10-8(33-14(18)19)4-3-6(9(10)17)12(31)24-15-25-27-28-30(15)2/h3-5,14,27-28H,1-2H3,(H,23,32)(H,24,25,31)
InChIKeyDRUJOGINQPBAKL-UHFFFAOYSA-N
MW496.78 g/mol
LogP1.90
Rot. Bonds5

About N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide

N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 168840882) has the molecular formula C16H14ClF5N8O3 and a molecular weight of 496.78 g/mol. Its IUPAC name is N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID168840882
Molecular FormulaC16H14ClF5N8O3
Molecular Weight496.78 g/mol
Exact Mass496.08
IUPAC NameN-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCN1NNN=C1NC(=O)c1ccc(OC(F)F)c(NC(=O)c2cn(C)nc2C(F)(F)F)c1Cl
InChIInChI=1S/C16H14ClF5N8O3/c1-29-5-7(11(26-29)16(20,21)22)13(32)23-10-8(33-14(18)19)4-3-6(9(10)17)12(31)24-15-25-27-28-30(15)2/h3-5,14,27-28H,1-2H3,(H,23,32)(H,24,25,31)
InChIKeyDRUJOGINQPBAKL-UHFFFAOYSA-N
XLogP1.90
TPSA124.91 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.78
LogP ≤ 51.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 168840882) is N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is CN1NNN=C1NC(=O)c1ccc(OC(F)F)c(NC(=O)c2cn(C)nc2C(F)(F)F)c1Cl.
What is the InChIKey of N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is DRUJOGINQPBAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF5N8O3/c1-29-5-7(11(26-29)16(20,21)22)13(32)23-10-8(33-14(18)19)4-3-6(9(10)17)12(31)24-15-25-27-28-30(15)2/h3-5,14,27-28H,1-2H3,(H,23,32)(H,24,25,31).
What are the key properties of N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 496.78 g/mol, XLogP of 1.90, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 168840882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).