N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide

C14H18F3N5O — CID 4772979

IUPACN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCCn1ncc(CN(C)C(=O)c2cc(C(F)(F)F)n(C)n2)c1C
InChIInChI=1S/C14H18F3N5O/c1-5-22-9(2)10(7-18-22)8-20(3)13(23)11-6-12(14(15,16)17)21(4)19-11/h6-7H,5,8H2,1-4H3
InChIKeyIDYJTHMCXAUGAY-UHFFFAOYSA-N
MW329.33 g/mol
LogP2.24
Rot. Bonds4

About N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide

N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 4772979) has the molecular formula C14H18F3N5O and a molecular weight of 329.33 g/mol. Its IUPAC name is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID4772979
Molecular FormulaC14H18F3N5O
Molecular Weight329.33 g/mol
Exact Mass329.15
IUPAC NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCCn1ncc(CN(C)C(=O)c2cc(C(F)(F)F)n(C)n2)c1C
InChIInChI=1S/C14H18F3N5O/c1-5-22-9(2)10(7-18-22)8-20(3)13(23)11-6-12(14(15,16)17)21(4)19-11/h6-7H,5,8H2,1-4H3
InChIKeyIDYJTHMCXAUGAY-UHFFFAOYSA-N
XLogP2.24
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1,5-Dimethylpyrazol-3-yl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone
CID 2738511
N,1-dimethyl-5-(trifluoromethyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 4771573
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 17020976
N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19575300
N-[(1-Ethyl-5-methyl-1H-pyrazol-4-YL)methyl]-N,1-dimethyl-1H-pyrazole-3-carboxamide
CID 19575757
N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N,1-dimethyl-1H-pyrazole-5-carboxamide
CID 19575903
N-[(1,5-Dimethyl-1H-pyrazol-4-YL)methyl]-N,1,3-trimethyl-1H-pyrazole-5-carboxamide
CID 19575943
1-(3-Pyrazol-1-ylpiperidin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 53561981
(2-Methylpyrazol-3-yl)-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53571969
1-[2-(Pyrazol-1-ylmethyl)pyrrolidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 53627295
(1,3-dimethylpyrazol-4-yl)-[2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
CID 56889070
N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 92589742

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 4772979) is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide is CCn1ncc(CN(C)C(=O)c2cc(C(F)(F)F)n(C)n2)c1C.
What is the InChIKey of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is IDYJTHMCXAUGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N5O/c1-5-22-9(2)10(7-18-22)8-20(3)13(23)11-6-12(14(15,16)17)21(4)19-11/h6-7H,5,8H2,1-4H3.
What are the key properties of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 329.33 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 4772979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).