2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylacetamide

C14H19F2N5O — CID 19531133

IUPAC2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylacetamide
SMILESCCn1ccc(CN(C)C(=O)Cn2nc(C(F)F)cc2C)n1
InChIInChI=1S/C14H19F2N5O/c1-4-20-6-5-11(17-20)8-19(3)13(22)9-21-10(2)7-12(18-21)14(15)16/h5-7,14H,4,8-9H2,1-3H3
InChIKeyXHSIVPYUGRCLEA-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.00
Rot. Bonds6

About 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylacetamide

2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylacetamide (PubChem CID 19531133) has the molecular formula C14H19F2N5O and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylacetamide
PubChem CID19531133
Molecular FormulaC14H19F2N5O
Molecular Weight311.34 g/mol
Exact Mass311.16
IUPAC Name2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylacetamide
SMILESCCn1ccc(CN(C)C(=O)Cn2nc(C(F)F)cc2C)n1
InChIInChI=1S/C14H19F2N5O/c1-4-20-6-5-11(17-20)8-19(3)13(22)9-21-10(2)7-12(18-21)14(15)16/h5-7,14H,4,8-9H2,1-3H3
InChIKeyXHSIVPYUGRCLEA-UHFFFAOYSA-N
XLogP2.00
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(difluoromethyl)-5-methyl-4-nitropyrazol-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylacetamide
CID 19531240
N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-2-(5-methylpyrazol-1-yl)acetamide
CID 19531117
N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-2-(3-methyl-5-nitropyrazol-1-yl)acetamide
CID 19531270
2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylacetamide
CID 19531246
N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(5-methylpyrazol-1-yl)propanamide
CID 19558354
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19449970
2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylacetamide
CID 19531252
N-[(1-ethylpyrazol-3-yl)methyl]-3-(4-iodo-5-methylpyrazol-1-yl)-N-methylpropanamide
CID 19558406
N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19515544
2-(3,5-dimethylpyrazol-1-yl)-N-[(4-hydroxyphenyl)methyl]-N-methylacetamide
CID 60966990
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-ethyl-N-[(3-prop-2-enoxyphenyl)methyl]acetamide
CID 50959870
2-chloro-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19449817

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylacetamide (CID 19531133) is 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylacetamide is CCn1ccc(CN(C)C(=O)Cn2nc(C(F)F)cc2C)n1.
What is the InChIKey of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylacetamide?
The InChIKey is XHSIVPYUGRCLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N5O/c1-4-20-6-5-11(17-20)8-19(3)13(22)9-21-10(2)7-12(18-21)14(15)16/h5-7,14H,4,8-9H2,1-3H3.
What are the key properties of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylacetamide?
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylacetamide has a molecular weight of 311.34 g/mol, XLogP of 2.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 19531133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).