5-[(2,4-difluorophenoxy)methyl]-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide

C18H19F2N5O2 — CID 25286246

IUPAC5-[(2,4-difluorophenoxy)methyl]-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCCN(Cc1cnn(C)c1)C(=O)c1cc(COc2ccc(F)cc2F)[nH]n1
InChIInChI=1S/C18H19F2N5O2/c1-3-25(10-12-8-21-24(2)9-12)18(26)16-7-14(22-23-16)11-27-17-5-4-13(19)6-15(17)20/h4-9H,3,10-11H2,1-2H3,(H,22,23)
InChIKeyBKOXXOJVVSXJRK-UHFFFAOYSA-N
MW375.38 g/mol
LogP2.66
Rot. Bonds7

About 5-[(2,4-difluorophenoxy)methyl]-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide

5-[(2,4-difluorophenoxy)methyl]-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 25286246) has the molecular formula C18H19F2N5O2 and a molecular weight of 375.38 g/mol. Its IUPAC name is 5-[(2,4-difluorophenoxy)methyl]-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2,4-difluorophenoxy)methyl]-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID25286246
Molecular FormulaC18H19F2N5O2
Molecular Weight375.38 g/mol
Exact Mass375.15
IUPAC Name5-[(2,4-difluorophenoxy)methyl]-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCCN(Cc1cnn(C)c1)C(=O)c1cc(COc2ccc(F)cc2F)[nH]n1
InChIInChI=1S/C18H19F2N5O2/c1-3-25(10-12-8-21-24(2)9-12)18(26)16-7-14(22-23-16)11-27-17-5-4-13(19)6-15(17)20/h4-9H,3,10-11H2,1-2H3,(H,22,23)
InChIKeyBKOXXOJVVSXJRK-UHFFFAOYSA-N
XLogP2.66
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-difluorophenoxy)methyl]-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(2,4-difluorophenoxy)methyl]-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide (CID 25286246) is 5-[(2,4-difluorophenoxy)methyl]-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(2,4-difluorophenoxy)methyl]-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(2,4-difluorophenoxy)methyl]-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide is CCN(Cc1cnn(C)c1)C(=O)c1cc(COc2ccc(F)cc2F)[nH]n1.
What is the InChIKey of 5-[(2,4-difluorophenoxy)methyl]-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is BKOXXOJVVSXJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N5O2/c1-3-25(10-12-8-21-24(2)9-12)18(26)16-7-14(22-23-16)11-27-17-5-4-13(19)6-15(17)20/h4-9H,3,10-11H2,1-2H3,(H,22,23).
What are the key properties of 5-[(2,4-difluorophenoxy)methyl]-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide?
5-[(2,4-difluorophenoxy)methyl]-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 375.38 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-difluorophenoxy)methyl]-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 25286246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).