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

C14H19F2N5O — CID 19516533

IUPAC2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide
SMILESCCn1cc(CNC(=O)Cn2nc(C)cc2C(F)F)c(C)n1
InChIInChI=1S/C14H19F2N5O/c1-4-20-7-11(10(3)19-20)6-17-13(22)8-21-12(14(15)16)5-9(2)18-21/h5,7,14H,4,6,8H2,1-3H3,(H,17,22)
InChIKeyKPOBTZIQROOWOC-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.97
Rot. Bonds6

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

2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide (PubChem CID 19516533) has the molecular formula C14H19F2N5O and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide
PubChem CID19516533
Molecular FormulaC14H19F2N5O
Molecular Weight311.34 g/mol
Exact Mass311.16
IUPAC Name2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide
SMILESCCn1cc(CNC(=O)Cn2nc(C)cc2C(F)F)c(C)n1
InChIInChI=1S/C14H19F2N5O/c1-4-20-7-11(10(3)19-20)6-17-13(22)8-21-12(14(15)16)5-9(2)18-21/h5,7,14H,4,6,8H2,1-3H3,(H,17,22)
InChIKeyKPOBTZIQROOWOC-UHFFFAOYSA-N
XLogP1.97
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide
CID 19518049
2-[3-(difluoromethyl)-5-methyl-4-nitropyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide
CID 19529033
2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide
CID 19499534
2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 19516555
N-butan-2-yl-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide
CID 19516578
2-(benzotriazol-1-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide
CID 19288641
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide
CID 19519400
2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(3-methoxypropyl)acetamide
CID 19516733
2-[3-(difluoromethyl)-5-methyl-4-nitropyrazol-1-yl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide
CID 19529030
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-phenylpropanamide
CID 19288572
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetamide
CID 19523646
2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]acetamide
CID 19530318

Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide (CID 19516533) is 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide is CCn1cc(CNC(=O)Cn2nc(C)cc2C(F)F)c(C)n1.
What is the InChIKey of 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide?
The InChIKey is KPOBTZIQROOWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N5O/c1-4-20-7-11(10(3)19-20)6-17-13(22)8-21-12(14(15)16)5-9(2)18-21/h5,7,14H,4,6,8H2,1-3H3,(H,17,22).
What are the key properties of 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide?
2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide has a molecular weight of 311.34 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 19516533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).