1,5-dimethyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-4-carboxamide

C12H14F3N5O2 — CID 19584375

IUPAC1,5-dimethyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cnn(COCC(F)(F)F)c2)cnn1C
InChIInChI=1S/C12H14F3N5O2/c1-8-10(4-16-19(8)2)11(21)18-9-3-17-20(5-9)7-22-6-12(13,14)15/h3-5H,6-7H2,1-2H3,(H,18,21)
InChIKeyFUZBGKQRGHDDCU-UHFFFAOYSA-N
MW317.27 g/mol
LogP1.71
Rot. Bonds5

About 1,5-dimethyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-4-carboxamide

1,5-dimethyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-4-carboxamide (PubChem CID 19584375) has the molecular formula C12H14F3N5O2 and a molecular weight of 317.27 g/mol. Its IUPAC name is 1,5-dimethyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-4-carboxamide
PubChem CID19584375
Molecular FormulaC12H14F3N5O2
Molecular Weight317.27 g/mol
Exact Mass317.11
IUPAC Name1,5-dimethyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cnn(COCC(F)(F)F)c2)cnn1C
InChIInChI=1S/C12H14F3N5O2/c1-8-10(4-16-19(8)2)11(21)18-9-3-17-20(5-9)7-22-6-12(13,14)15/h3-5H,6-7H2,1-2H3,(H,18,21)
InChIKeyFUZBGKQRGHDDCU-UHFFFAOYSA-N
XLogP1.71
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 19398373
4-amino-1-ethyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 19620467
2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 4773800
4-amino-1-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 7017547
N,N'-ethane-1,2-diylbis(1-ethyl-3-methyl-1H-pyrazole-4-carboxamide)
CID 19576787
5-methyl-1-propyl-N-[3-(1H-1,2,3-triazol-1-yl)propyl]-1H-pyrazole-4-carboxamide
CID 72931611
N-(1,3-dimethylpyrazol-4-yl)-1-propan-2-ylpyrazole-4-carboxamide
CID 132413686
1-(2,2-difluoroethyl)-N-ethyl-3-methyl-N-[(3S)-2-oxopyrrolidin-3-yl]pyrazole-4-carboxamide
CID 164635018
1-methyl-4-[[(3S)-4,4,4-trifluoro-3-pyrazol-1-ylbutanoyl]amino]pyrazole-3-carboxamide
CID 164642337
4-({[1-(difluoromethyl)-1H-pyrazol-5-yl]carbonyl}amino)-1-methyl-1H-pyrazole-5-carboxamide
CID 4767849
N-(5-carbamoyl-1-methyl-1H-pyrazol-4-yl)-1-(difluoromethyl)-1H-pyrazole-3-carboxamide
CID 4767870
4-({[1-(difluoromethyl)-1H-pyrazol-5-yl]carbonyl}amino)-1-ethyl-1H-pyrazole-3-carboxamide
CID 4770958

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-4-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-4-carboxamide (CID 19584375) is 1,5-dimethyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-4-carboxamide is Cc1c(C(=O)Nc2cnn(COCC(F)(F)F)c2)cnn1C.
What is the InChIKey of 1,5-dimethyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-4-carboxamide?
The InChIKey is FUZBGKQRGHDDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5O2/c1-8-10(4-16-19(8)2)11(21)18-9-3-17-20(5-9)7-22-6-12(13,14)15/h3-5H,6-7H2,1-2H3,(H,18,21).
What are the key properties of 1,5-dimethyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-4-carboxamide?
1,5-dimethyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-4-carboxamide has a molecular weight of 317.27 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 19584375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).