methyl 1-methyl-4-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate

C14H16F3N5O3 — CID 19341558

IUPACmethyl 1-methyl-4-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(C)cc1NC(=O)CCn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C14H16F3N5O3/c1-8-6-10(14(15,16)17)19-22(8)5-4-11(23)18-9-7-21(2)20-12(9)13(24)25-3/h6-7H,4-5H2,1-3H3,(H,18,23)
InChIKeyFBTBUVVOAWWASB-UHFFFAOYSA-N
MW359.31 g/mol
LogP1.76
Rot. Bonds5

About methyl 1-methyl-4-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate

methyl 1-methyl-4-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate (PubChem CID 19341558) has the molecular formula C14H16F3N5O3 and a molecular weight of 359.31 g/mol. Its IUPAC name is methyl 1-methyl-4-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-4-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate
PubChem CID19341558
Molecular FormulaC14H16F3N5O3
Molecular Weight359.31 g/mol
Exact Mass359.12
IUPAC Namemethyl 1-methyl-4-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(C)cc1NC(=O)CCn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C14H16F3N5O3/c1-8-6-10(14(15,16)17)19-22(8)5-4-11(23)18-9-7-21(2)20-12(9)13(24)25-3/h6-7H,4-5H2,1-3H3,(H,18,23)
InChIKeyFBTBUVVOAWWASB-UHFFFAOYSA-N
XLogP1.76
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-methylpyrazol-3-yl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19563695
N-(2-hydroxyethyl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19566161
N-(4-ethoxyphenyl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19566145
N-[4-(3,5-dimethylpyrazol-1-yl)-3-methoxyphenyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 46969513
methyl 4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-3-carboxylate
CID 19551888
1-methyl-N-[3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]phenyl]pyrazole-3-carboxamide
CID 19563725
N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19563668
N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19394631
N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19283141
methyl 4-[3-(5-methoxycyclooctyl)propanoylamino]-1-methylpyrazole-3-carboxylate
CID 143923996
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19566096
N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19563758

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-4-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate?
The IUPAC name of methyl 1-methyl-4-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate (CID 19341558) is methyl 1-methyl-4-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate.
What is the SMILES notation for methyl 1-methyl-4-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate?
The canonical SMILES for methyl 1-methyl-4-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate is COC(=O)c1nn(C)cc1NC(=O)CCn1nc(C(F)(F)F)cc1C.
What is the InChIKey of methyl 1-methyl-4-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate?
The InChIKey is FBTBUVVOAWWASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O3/c1-8-6-10(14(15,16)17)19-22(8)5-4-11(23)18-9-7-21(2)20-12(9)13(24)25-3/h6-7H,4-5H2,1-3H3,(H,18,23).
What are the key properties of methyl 1-methyl-4-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate?
methyl 1-methyl-4-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate has a molecular weight of 359.31 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-4-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate is sourced from PubChem (CID 19341558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).