1-ethyl-4-[[(2R)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]amino]pyrazole-3-carboxamide

C14H17F3N6O2 — CID 35592634

IUPAC1-ethyl-4-[[(2R)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]amino]pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)[C@@H](C)n2nc(C(F)(F)F)cc2C)c(C(N)=O)n1
InChIInChI=1S/C14H17F3N6O2/c1-4-22-6-9(11(21-22)12(18)24)19-13(25)8(3)23-7(2)5-10(20-23)14(15,16)17/h5-6,8H,4H2,1-3H3,(H2,18,24)(H,19,25)/t8-/m1/s1
InChIKeyGLXGONDXHOLYNM-MRVPVSSYSA-N
MW358.32 g/mol
LogP1.73
Rot. Bonds5

About 1-ethyl-4-[[(2R)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]amino]pyrazole-3-carboxamide

1-ethyl-4-[[(2R)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]amino]pyrazole-3-carboxamide (PubChem CID 35592634) has the molecular formula C14H17F3N6O2 and a molecular weight of 358.32 g/mol. Its IUPAC name is 1-ethyl-4-[[(2R)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]amino]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-[[(2R)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]amino]pyrazole-3-carboxamide
PubChem CID35592634
Molecular FormulaC14H17F3N6O2
Molecular Weight358.32 g/mol
Exact Mass358.14
IUPAC Name1-ethyl-4-[[(2R)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]amino]pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)[C@@H](C)n2nc(C(F)(F)F)cc2C)c(C(N)=O)n1
InChIInChI=1S/C14H17F3N6O2/c1-4-22-6-9(11(21-22)12(18)24)19-13(25)8(3)23-7(2)5-10(20-23)14(15,16)17/h5-6,8H,4H2,1-3H3,(H2,18,24)(H,19,25)/t8-/m1/s1
InChIKeyGLXGONDXHOLYNM-MRVPVSSYSA-N
XLogP1.73
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-ethylpyrazol-4-yl)methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19534690
(2S)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide
CID 7026272
N-(2-methylpropyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19534685
N-[2-(difluoromethoxy)-5-methylphenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19534782
1-ethyl-N-methyl-4-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pyrazole-3-carboxamide
CID 19519292
N-[2-(diethylamino)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19534882
ethyl 5-carbamoyl-4-methyl-2-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]thiophene-3-carboxylate
CID 19534677
methyl 4-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-3-carboxylate
CID 19532027
4-[[(2R)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]amino]benzoic acid
CID 51388427
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-prop-2-enylpropanamide
CID 19534633
N-cyclopentyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 4772164
N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19394654

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[(2R)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]amino]pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-4-[[(2R)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]amino]pyrazole-3-carboxamide (CID 35592634) is 1-ethyl-4-[[(2R)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]amino]pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-4-[[(2R)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]amino]pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-4-[[(2R)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]amino]pyrazole-3-carboxamide is CCn1cc(NC(=O)[C@@H](C)n2nc(C(F)(F)F)cc2C)c(C(N)=O)n1.
What is the InChIKey of 1-ethyl-4-[[(2R)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]amino]pyrazole-3-carboxamide?
The InChIKey is GLXGONDXHOLYNM-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H17F3N6O2/c1-4-22-6-9(11(21-22)12(18)24)19-13(25)8(3)23-7(2)5-10(20-23)14(15,16)17/h5-6,8H,4H2,1-3H3,(H2,18,24)(H,19,25)/t8-/m1/s1.
What are the key properties of 1-ethyl-4-[[(2R)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]amino]pyrazole-3-carboxamide?
1-ethyl-4-[[(2R)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]amino]pyrazole-3-carboxamide has a molecular weight of 358.32 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[[(2R)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]amino]pyrazole-3-carboxamide is sourced from PubChem (CID 35592634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).