N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyltetrazol-5-yl)carbamoyl]phenyl]-1,4,5-trimethylpyrazole-3-carboxamide

C17H17ClF2N8O3 — CID 168840854

IUPACN-[2-chloro-6-(difluoromethoxy)-3-[(1-methyltetrazol-5-yl)carbamoyl]phenyl]-1,4,5-trimethylpyrazole-3-carboxamide
SMILESCc1c(C(=O)Nc2c(OC(F)F)ccc(C(=O)Nc3nnnn3C)c2Cl)nn(C)c1C
InChIInChI=1S/C17H17ClF2N8O3/c1-7-8(2)27(3)24-12(7)15(30)21-13-10(31-16(19)20)6-5-9(11(13)18)14(29)22-17-23-25-26-28(17)4/h5-6,16H,1-4H3,(H,21,30)(H,22,23,26,29)
InChIKeyXDZRSJGVODCEKG-UHFFFAOYSA-N
MW454.83 g/mol
LogP2.32
Rot. Bonds6

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

N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyltetrazol-5-yl)carbamoyl]phenyl]-1,4,5-trimethylpyrazole-3-carboxamide (PubChem CID 168840854) has the molecular formula C17H17ClF2N8O3 and a molecular weight of 454.83 g/mol. Its IUPAC name is N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyltetrazol-5-yl)carbamoyl]phenyl]-1,4,5-trimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-6-(difluoromethoxy)-3-[(1-methyltetrazol-5-yl)carbamoyl]phenyl]-1,4,5-trimethylpyrazole-3-carboxamide
PubChem CID168840854
Molecular FormulaC17H17ClF2N8O3
Molecular Weight454.83 g/mol
Exact Mass454.11
IUPAC NameN-[2-chloro-6-(difluoromethoxy)-3-[(1-methyltetrazol-5-yl)carbamoyl]phenyl]-1,4,5-trimethylpyrazole-3-carboxamide
SMILESCc1c(C(=O)Nc2c(OC(F)F)ccc(C(=O)Nc3nnnn3C)c2Cl)nn(C)c1C
InChIInChI=1S/C17H17ClF2N8O3/c1-7-8(2)27(3)24-12(7)15(30)21-13-10(31-16(19)20)6-5-9(11(13)18)14(29)22-17-23-25-26-28(17)4/h5-6,16H,1-4H3,(H,21,30)(H,22,23,26,29)
InChIKeyXDZRSJGVODCEKG-UHFFFAOYSA-N
XLogP2.32
TPSA128.85 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.83
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyltetrazol-5-yl)carbamoyl]phenyl]-1,4,5-trimethylpyrazole-3-carboxamide?
The IUPAC name of N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyltetrazol-5-yl)carbamoyl]phenyl]-1,4,5-trimethylpyrazole-3-carboxamide (CID 168840854) is N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyltetrazol-5-yl)carbamoyl]phenyl]-1,4,5-trimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyltetrazol-5-yl)carbamoyl]phenyl]-1,4,5-trimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyltetrazol-5-yl)carbamoyl]phenyl]-1,4,5-trimethylpyrazole-3-carboxamide is Cc1c(C(=O)Nc2c(OC(F)F)ccc(C(=O)Nc3nnnn3C)c2Cl)nn(C)c1C.
What is the InChIKey of N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyltetrazol-5-yl)carbamoyl]phenyl]-1,4,5-trimethylpyrazole-3-carboxamide?
The InChIKey is XDZRSJGVODCEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF2N8O3/c1-7-8(2)27(3)24-12(7)15(30)21-13-10(31-16(19)20)6-5-9(11(13)18)14(29)22-17-23-25-26-28(17)4/h5-6,16H,1-4H3,(H,21,30)(H,22,23,26,29).
What are the key properties of N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyltetrazol-5-yl)carbamoyl]phenyl]-1,4,5-trimethylpyrazole-3-carboxamide?
N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyltetrazol-5-yl)carbamoyl]phenyl]-1,4,5-trimethylpyrazole-3-carboxamide has a molecular weight of 454.83 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyltetrazol-5-yl)carbamoyl]phenyl]-1,4,5-trimethylpyrazole-3-carboxamide is sourced from PubChem (CID 168840854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).