N-(3,5-difluoro-4-pyridinyl)-5-(6-ethoxy-4-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxamide

C18H17F2N5O2 — CID 118130830

IUPACN-(3,5-difluoro-4-pyridinyl)-5-(6-ethoxy-4-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxamide
SMILESCCOc1cc(C)c(-c2cc(C(=O)Nc3c(F)cncc3F)nn2C)cn1
InChIInChI=1S/C18H17F2N5O2/c1-4-27-16-5-10(2)11(7-22-16)15-6-14(24-25(15)3)18(26)23-17-12(19)8-21-9-13(17)20/h5-9H,4H2,1-3H3,(H,21,23,26)
InChIKeyFJROPMRVBLEVJL-UHFFFAOYSA-N
MW373.36 g/mol
LogP3.11
Rot. Bonds5

About N-(3,5-difluoro-4-pyridinyl)-5-(6-ethoxy-4-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxamide

N-(3,5-difluoro-4-pyridinyl)-5-(6-ethoxy-4-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxamide (PubChem CID 118130830) has the molecular formula C18H17F2N5O2 and a molecular weight of 373.36 g/mol. Its IUPAC name is N-(3,5-difluoro-4-pyridinyl)-5-(6-ethoxy-4-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-difluoro-4-pyridinyl)-5-(6-ethoxy-4-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxamide
PubChem CID118130830
Molecular FormulaC18H17F2N5O2
Molecular Weight373.36 g/mol
Exact Mass373.14
IUPAC NameN-(3,5-difluoro-4-pyridinyl)-5-(6-ethoxy-4-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxamide
SMILESCCOc1cc(C)c(-c2cc(C(=O)Nc3c(F)cncc3F)nn2C)cn1
InChIInChI=1S/C18H17F2N5O2/c1-4-27-16-5-10(2)11(7-22-16)15-6-14(24-25(15)3)18(26)23-17-12(19)8-21-9-13(17)20/h5-9H,4H2,1-3H3,(H,21,23,26)
InChIKeyFJROPMRVBLEVJL-UHFFFAOYSA-N
XLogP3.11
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluoro-4-pyridinyl)-5-(6-ethoxy-4-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(3,5-difluoro-4-pyridinyl)-5-(6-ethoxy-4-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxamide (CID 118130830) is N-(3,5-difluoro-4-pyridinyl)-5-(6-ethoxy-4-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3,5-difluoro-4-pyridinyl)-5-(6-ethoxy-4-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(3,5-difluoro-4-pyridinyl)-5-(6-ethoxy-4-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxamide is CCOc1cc(C)c(-c2cc(C(=O)Nc3c(F)cncc3F)nn2C)cn1.
What is the InChIKey of N-(3,5-difluoro-4-pyridinyl)-5-(6-ethoxy-4-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is FJROPMRVBLEVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5O2/c1-4-27-16-5-10(2)11(7-22-16)15-6-14(24-25(15)3)18(26)23-17-12(19)8-21-9-13(17)20/h5-9H,4H2,1-3H3,(H,21,23,26).
What are the key properties of N-(3,5-difluoro-4-pyridinyl)-5-(6-ethoxy-4-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxamide?
N-(3,5-difluoro-4-pyridinyl)-5-(6-ethoxy-4-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 373.36 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluoro-4-pyridinyl)-5-(6-ethoxy-4-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 118130830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).