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

C15H15ClF2N8O3 — CID 168841017

IUPACN-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-1-methylpyrazole-4-carboxamide
SMILESCN1NNN=C1NC(=O)c1ccc(OC(F)F)c(NC(=O)c2cnn(C)c2)c1Cl
InChIInChI=1S/C15H15ClF2N8O3/c1-25-6-7(5-19-25)12(27)20-11-9(29-14(17)18)4-3-8(10(11)16)13(28)21-15-22-23-24-26(15)2/h3-6,14,23-24H,1-2H3,(H,20,27)(H,21,22,28)
InChIKeyZVAJIXBIHXBWNU-UHFFFAOYSA-N
MW428.79 g/mol
LogP0.88
Rot. Bonds5

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

N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-1-methylpyrazole-4-carboxamide (PubChem CID 168841017) has the molecular formula C15H15ClF2N8O3 and a molecular weight of 428.79 g/mol. Its IUPAC name is N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-1-methylpyrazole-4-carboxamide
PubChem CID168841017
Molecular FormulaC15H15ClF2N8O3
Molecular Weight428.79 g/mol
Exact Mass428.09
IUPAC NameN-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-1-methylpyrazole-4-carboxamide
SMILESCN1NNN=C1NC(=O)c1ccc(OC(F)F)c(NC(=O)c2cnn(C)c2)c1Cl
InChIInChI=1S/C15H15ClF2N8O3/c1-25-6-7(5-19-25)12(27)20-11-9(29-14(17)18)4-3-8(10(11)16)13(28)21-15-22-23-24-26(15)2/h3-6,14,23-24H,1-2H3,(H,20,27)(H,21,22,28)
InChIKeyZVAJIXBIHXBWNU-UHFFFAOYSA-N
XLogP0.88
TPSA124.91 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.79
LogP ≤ 50.88
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-methylpyrazole-4-carboxamide?
The IUPAC name of N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-1-methylpyrazole-4-carboxamide (CID 168841017) is N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-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]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-1-methylpyrazole-4-carboxamide is CN1NNN=C1NC(=O)c1ccc(OC(F)F)c(NC(=O)c2cnn(C)c2)c1Cl.
What is the InChIKey of N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is ZVAJIXBIHXBWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF2N8O3/c1-25-6-7(5-19-25)12(27)20-11-9(29-14(17)18)4-3-8(10(11)16)13(28)21-15-22-23-24-26(15)2/h3-6,14,23-24H,1-2H3,(H,20,27)(H,21,22,28).
What are the key properties of N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-1-methylpyrazole-4-carboxamide?
N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 428.79 g/mol, XLogP of 0.88, 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-methylpyrazole-4-carboxamide is sourced from PubChem (CID 168841017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).