N-[3-chloro-4-(difluoromethoxy)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide

C14H14ClF2N3O2 — CID 19281617

IUPACN-[3-chloro-4-(difluoromethoxy)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C14H14ClF2N3O2/c1-7-12(8(2)20(3)19-7)13(21)18-9-4-5-11(10(15)6-9)22-14(16)17/h4-6,14H,1-3H3,(H,18,21)
InChIKeyCTOKZVKMPDNJRQ-UHFFFAOYSA-N
MW329.73 g/mol
LogP3.54
Rot. Bonds4

About N-[3-chloro-4-(difluoromethoxy)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide

N-[3-chloro-4-(difluoromethoxy)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide (PubChem CID 19281617) has the molecular formula C14H14ClF2N3O2 and a molecular weight of 329.73 g/mol. Its IUPAC name is N-[3-chloro-4-(difluoromethoxy)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(difluoromethoxy)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide
PubChem CID19281617
Molecular FormulaC14H14ClF2N3O2
Molecular Weight329.73 g/mol
Exact Mass329.07
IUPAC NameN-[3-chloro-4-(difluoromethoxy)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C14H14ClF2N3O2/c1-7-12(8(2)20(3)19-7)13(21)18-9-4-5-11(10(15)6-9)22-14(16)17/h4-6,14H,1-3H3,(H,18,21)
InChIKeyCTOKZVKMPDNJRQ-UHFFFAOYSA-N
XLogP3.54
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.73
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide (CID 19281617) is N-[3-chloro-4-(difluoromethoxy)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(difluoromethoxy)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-chloro-4-(difluoromethoxy)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)Nc1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(difluoromethoxy)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide?
The InChIKey is CTOKZVKMPDNJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF2N3O2/c1-7-12(8(2)20(3)19-7)13(21)18-9-4-5-11(10(15)6-9)22-14(16)17/h4-6,14H,1-3H3,(H,18,21).
What are the key properties of N-[3-chloro-4-(difluoromethoxy)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide?
N-[3-chloro-4-(difluoromethoxy)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide has a molecular weight of 329.73 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(difluoromethoxy)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 19281617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).