1-ethyl-5-methyl-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-carboxamide

C16H22F3N5O — CID 50965350

IUPAC1-ethyl-5-methyl-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-carboxamide
SMILESCCn1ncc(C(=O)NCC(C)Cn2nc(C)cc2C(F)(F)F)c1C
InChIInChI=1S/C16H22F3N5O/c1-5-23-12(4)13(8-21-23)15(25)20-7-10(2)9-24-14(16(17,18)19)6-11(3)22-24/h6,8,10H,5,7,9H2,1-4H3,(H,20,25)
InChIKeyCPEMMOMXLCOVFF-UHFFFAOYSA-N
MW357.38 g/mol
LogP2.80
Rot. Bonds6

About 1-ethyl-5-methyl-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-carboxamide

1-ethyl-5-methyl-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-carboxamide (PubChem CID 50965350) has the molecular formula C16H22F3N5O and a molecular weight of 357.38 g/mol. Its IUPAC name is 1-ethyl-5-methyl-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-5-methyl-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-carboxamide
PubChem CID50965350
Molecular FormulaC16H22F3N5O
Molecular Weight357.38 g/mol
Exact Mass357.18
IUPAC Name1-ethyl-5-methyl-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-carboxamide
SMILESCCn1ncc(C(=O)NCC(C)Cn2nc(C)cc2C(F)(F)F)c1C
InChIInChI=1S/C16H22F3N5O/c1-5-23-12(4)13(8-21-23)15(25)20-7-10(2)9-24-14(16(17,18)19)6-11(3)22-24/h6,8,10H,5,7,9H2,1-4H3,(H,20,25)
InChIKeyCPEMMOMXLCOVFF-UHFFFAOYSA-N
XLogP2.80
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-5-methyl-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-carboxamide with MolForge

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Related Compounds

N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4772979
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 46968232
[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 56779550
1-(2-aminoethyl)-N-{2-methyl-3-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}-1H-1,2,3-triazole-4-carboxamide
CID 70705811
N-[1-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-methyl-1-propyl-1H-pyrazole-4-carboxamide
CID 72874137
(3,5-dimethyl-1H-pyrazol-1-yl)(1-ethyl-5-methyl-1H-pyrazol-4-yl)methanone
CID 19578885
N-cyclopentyl-4-({[1-(difluoromethyl)-5-methyl-1H-pyrazol-3-yl]carbonyl}amino)-1-ethyl-1H-pyrazole-3-carboxamide
CID 17025340
N,N'-ethane-1,2-diylbis(1-ethyl-3-methyl-1H-pyrazole-4-carboxamide)
CID 19576787
1,3-dimethyl-N-[[(3R)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]methyl]pyrazole-4-carboxamide
CID 164643382
2-[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]acetamide
CID 4773433
2-[3,5-Bis(difluoromethyl)-1H-pyrazol-1-YL]-N~1~-[(1-methyl-1H-pyrazol-4-YL)methyl]acetamide
CID 4773500
3-methyl-1-(1-methyliminobut-2-en-2-yl)-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 123499443

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methyl-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-5-methyl-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-carboxamide (CID 50965350) is 1-ethyl-5-methyl-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-5-methyl-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-5-methyl-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-carboxamide is CCn1ncc(C(=O)NCC(C)Cn2nc(C)cc2C(F)(F)F)c1C.
What is the InChIKey of 1-ethyl-5-methyl-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-carboxamide?
The InChIKey is CPEMMOMXLCOVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N5O/c1-5-23-12(4)13(8-21-23)15(25)20-7-10(2)9-24-14(16(17,18)19)6-11(3)22-24/h6,8,10H,5,7,9H2,1-4H3,(H,20,25).
What are the key properties of 1-ethyl-5-methyl-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-carboxamide?
1-ethyl-5-methyl-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-carboxamide has a molecular weight of 357.38 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methyl-N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-carboxamide is sourced from PubChem (CID 50965350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).