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

C16H15ClF4N8O3 — CID 168840876

IUPACN-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
SMILESCN1NNN=C1NC(=O)c1ccc(OC(F)F)c(NC(=O)c2cn(C)nc2C(F)F)c1Cl
InChIInChI=1S/C16H15ClF4N8O3/c1-28-5-7(10(25-28)12(18)19)14(31)22-11-8(32-15(20)21)4-3-6(9(11)17)13(30)23-16-24-26-27-29(16)2/h3-5,12,15,26-27H,1-2H3,(H,22,31)(H,23,24,30)
InChIKeyRSFZPXCRLYVYNH-UHFFFAOYSA-N
MW478.79 g/mol
LogP1.82
Rot. Bonds6

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

N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide (PubChem CID 168840876) has the molecular formula C16H15ClF4N8O3 and a molecular weight of 478.79 g/mol. Its IUPAC name is N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
PubChem CID168840876
Molecular FormulaC16H15ClF4N8O3
Molecular Weight478.79 g/mol
Exact Mass478.09
IUPAC NameN-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
SMILESCN1NNN=C1NC(=O)c1ccc(OC(F)F)c(NC(=O)c2cn(C)nc2C(F)F)c1Cl
InChIInChI=1S/C16H15ClF4N8O3/c1-28-5-7(10(25-28)12(18)19)14(31)22-11-8(32-15(20)21)4-3-6(9(11)17)13(30)23-16-24-26-27-29(16)2/h3-5,12,15,26-27H,1-2H3,(H,22,31)(H,23,24,30)
InChIKeyRSFZPXCRLYVYNH-UHFFFAOYSA-N
XLogP1.82
TPSA124.91 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.79
LogP ≤ 51.82
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]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide (CID 168840876) is N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide is CN1NNN=C1NC(=O)c1ccc(OC(F)F)c(NC(=O)c2cn(C)nc2C(F)F)c1Cl.
What is the InChIKey of N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is RSFZPXCRLYVYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF4N8O3/c1-28-5-7(10(25-28)12(18)19)14(31)22-11-8(32-15(20)21)4-3-6(9(11)17)13(30)23-16-24-26-27-29(16)2/h3-5,12,15,26-27H,1-2H3,(H,22,31)(H,23,24,30).
What are the key properties of N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 478.79 g/mol, XLogP of 1.82, 6 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]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 168840876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).