4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide

C15H16ClF2N3O2 — CID 14460859

IUPAC4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NCc2ccc(OC(F)F)cc2)c1Cl
InChIInChI=1S/C15H16ClF2N3O2/c1-3-11-12(16)13(21(2)20-11)14(22)19-8-9-4-6-10(7-5-9)23-15(17)18/h4-7,15H,3,8H2,1-2H3,(H,19,22)
InChIKeyIAXSDLVOOLYWOS-UHFFFAOYSA-N
MW343.76 g/mol
LogP3.17
Rot. Bonds6

About 4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide

4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 14460859) has the molecular formula C15H16ClF2N3O2 and a molecular weight of 343.76 g/mol. Its IUPAC name is 4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
PubChem CID14460859
Molecular FormulaC15H16ClF2N3O2
Molecular Weight343.76 g/mol
Exact Mass343.09
IUPAC Name4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NCc2ccc(OC(F)F)cc2)c1Cl
InChIInChI=1S/C15H16ClF2N3O2/c1-3-11-12(16)13(21(2)20-11)14(22)19-8-9-4-6-10(7-5-9)23-15(17)18/h4-7,15H,3,8H2,1-2H3,(H,19,22)
InChIKeyIAXSDLVOOLYWOS-UHFFFAOYSA-N
XLogP3.17
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.76
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide (CID 14460859) is 4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide is CCc1nn(C)c(C(=O)NCc2ccc(OC(F)F)cc2)c1Cl.
What is the InChIKey of 4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is IAXSDLVOOLYWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF2N3O2/c1-3-11-12(16)13(21(2)20-11)14(22)19-8-9-4-6-10(7-5-9)23-15(17)18/h4-7,15H,3,8H2,1-2H3,(H,19,22).
What are the key properties of 4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide?
4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 343.76 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 14460859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).