2-(difluoromethyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide

C13H17F2N5O — CID 19478701

IUPAC2-(difluoromethyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
SMILESCCn1ncc(CN(C)C(=O)c2ccnn2C(F)F)c1C
InChIInChI=1S/C13H17F2N5O/c1-4-19-9(2)10(7-17-19)8-18(3)12(21)11-5-6-16-20(11)13(14)15/h5-7,13H,4,8H2,1-3H3
InChIKeyMSMMDUIRCYLJKJ-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.08
Rot. Bonds5

About 2-(difluoromethyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide

2-(difluoromethyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide (PubChem CID 19478701) has the molecular formula C13H17F2N5O and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
PubChem CID19478701
Molecular FormulaC13H17F2N5O
Molecular Weight297.31 g/mol
Exact Mass297.14
IUPAC Name2-(difluoromethyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
SMILESCCn1ncc(CN(C)C(=O)c2ccnn2C(F)F)c1C
InChIInChI=1S/C13H17F2N5O/c1-4-19-9(2)10(7-17-19)8-18(3)12(21)11-5-6-16-20(11)13(14)15/h5-7,13H,4,8H2,1-3H3
InChIKeyMSMMDUIRCYLJKJ-UHFFFAOYSA-N
XLogP2.08
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide (CID 19478701) is 2-(difluoromethyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide is CCn1ncc(CN(C)C(=O)c2ccnn2C(F)F)c1C.
What is the InChIKey of 2-(difluoromethyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide?
The InChIKey is MSMMDUIRCYLJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N5O/c1-4-19-9(2)10(7-17-19)8-18(3)12(21)11-5-6-16-20(11)13(14)15/h5-7,13H,4,8H2,1-3H3.
What are the key properties of 2-(difluoromethyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide?
2-(difluoromethyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide has a molecular weight of 297.31 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19478701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).