1-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide

C13H14F3N5O2 — CID 167968739

IUPAC1-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2nc(C)cc(OC)n2)c(C(F)(F)F)n1
InChIInChI=1S/C13H14F3N5O2/c1-4-21-6-8(10(20-21)13(14,15)16)11(22)19-12-17-7(2)5-9(18-12)23-3/h5-6H,4H2,1-3H3,(H,17,18,19,22)
InChIKeyBNCFGMNPKFUIDF-UHFFFAOYSA-N
MW329.28 g/mol
LogP2.28
Rot. Bonds4

About 1-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide

1-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 167968739) has the molecular formula C13H14F3N5O2 and a molecular weight of 329.28 g/mol. Its IUPAC name is 1-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID167968739
Molecular FormulaC13H14F3N5O2
Molecular Weight329.28 g/mol
Exact Mass329.11
IUPAC Name1-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2nc(C)cc(OC)n2)c(C(F)(F)F)n1
InChIInChI=1S/C13H14F3N5O2/c1-4-21-6-8(10(20-21)13(14,15)16)11(22)19-12-17-7(2)5-9(18-12)23-3/h5-6H,4H2,1-3H3,(H,17,18,19,22)
InChIKeyBNCFGMNPKFUIDF-UHFFFAOYSA-N
XLogP2.28
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-(4,6-dimethoxy-2-pyrimidinyl)-5-methyl-1H-pyrazole-4-carboxylate
CID 850332
ethyl 1-(4,6-dimethoxy-2-pyrimidinyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
CID 850359
2,6-dimethoxy-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-4-pyrimidinecarboxamide
CID 28909699
2-Amino-4-(1-methyl-3-trifluoromethylpyrazol-5-yloxy)-5-methylpyrimidine
CID 12056711
Methyl 2-pyrazol-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate
CID 18174938
Ethyl 1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazole-4-carboxylate
CID 57963764
Ethyl 1-pyrimidin-2-yl-5-trifluoromethyl-1H-pyrazole-4-carboxylate
CID 59607162
N-[[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methyl]pyrimidin-2-amine
CID 86804324
[4-(4-Ethoxypyrimidin-2-yl)piperazin-1-yl]-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanone
CID 86905431
[4-(4-Ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanone
CID 86905460
[4-(4-Ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]methanone
CID 86905474
5-(difluoromethoxy)-1-methyl-N-(4-methylpyrimidin-2-yl)pyrazole-3-carboxamide
CID 119051034

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 167968739) is 1-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide is CCn1cc(C(=O)Nc2nc(C)cc(OC)n2)c(C(F)(F)F)n1.
What is the InChIKey of 1-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is BNCFGMNPKFUIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5O2/c1-4-21-6-8(10(20-21)13(14,15)16)11(22)19-12-17-7(2)5-9(18-12)23-3/h5-6H,4H2,1-3H3,(H,17,18,19,22).
What are the key properties of 1-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
1-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 329.28 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 167968739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).