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

C12H14F3N5O — CID 19267597

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCc1c(CNC(=O)c2cc(C(F)(F)F)n(C)n2)cnn1C
InChIInChI=1S/C12H14F3N5O/c1-7-8(6-17-19(7)2)5-16-11(21)9-4-10(12(13,14)15)20(3)18-9/h4,6H,5H2,1-3H3,(H,16,21)
InChIKeyMVKUHLWLFNFILU-UHFFFAOYSA-N
MW301.27 g/mol
LogP1.41
Rot. Bonds3

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

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 19267597) has the molecular formula C12H14F3N5O and a molecular weight of 301.27 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID19267597
Molecular FormulaC12H14F3N5O
Molecular Weight301.27 g/mol
Exact Mass301.12
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCc1c(CNC(=O)c2cc(C(F)(F)F)n(C)n2)cnn1C
InChIInChI=1S/C12H14F3N5O/c1-7-8(6-17-19(7)2)5-16-11(21)9-4-10(12(13,14)15)20(3)18-9/h4,6H,5H2,1-3H3,(H,16,21)
InChIKeyMVKUHLWLFNFILU-UHFFFAOYSA-N
XLogP1.41
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19455773
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267637
N-[(2-chlorophenyl)methyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 47000839
1-(difluoromethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19268483
N-[(1,5-dimethylpyrazol-4-yl)methyl]-11-(trifluoromethyl)-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,13,15-heptaene-14-carboxamide
CID 3370650
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 4865305
2-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 126835562
1,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 35762734
1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 19326759
2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 154765796
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 106032760
N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]-1-methylpyrazole-3-carboxamide
CID 100815624

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 19267597) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is Cc1c(CNC(=O)c2cc(C(F)(F)F)n(C)n2)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is MVKUHLWLFNFILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5O/c1-7-8(6-17-19(7)2)5-16-11(21)9-4-10(12(13,14)15)20(3)18-9/h4,6H,5H2,1-3H3,(H,16,21).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 301.27 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19267597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).