4-(1-ethylpyrazol-4-yl)-2-(3-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine

C16H20F3N5 — CID 44821198

IUPAC4-(1-ethylpyrazol-4-yl)-2-(3-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine
SMILESCCn1cc(-c2cc(C(F)(F)F)nc(N3CCCC(C)C3)n2)cn1
InChIInChI=1S/C16H20F3N5/c1-3-24-10-12(8-20-24)13-7-14(16(17,18)19)22-15(21-13)23-6-4-5-11(2)9-23/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyVACKQKJCXSCHJY-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.62
Rot. Bonds3

About 4-(1-ethylpyrazol-4-yl)-2-(3-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine

4-(1-ethylpyrazol-4-yl)-2-(3-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine (PubChem CID 44821198) has the molecular formula C16H20F3N5 and a molecular weight of 339.37 g/mol. Its IUPAC name is 4-(1-ethylpyrazol-4-yl)-2-(3-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(1-ethylpyrazol-4-yl)-2-(3-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine
PubChem CID44821198
Molecular FormulaC16H20F3N5
Molecular Weight339.37 g/mol
Exact Mass339.17
IUPAC Name4-(1-ethylpyrazol-4-yl)-2-(3-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine
SMILESCCn1cc(-c2cc(C(F)(F)F)nc(N3CCCC(C)C3)n2)cn1
InChIInChI=1S/C16H20F3N5/c1-3-24-10-12(8-20-24)13-7-14(16(17,18)19)22-15(21-13)23-6-4-5-11(2)9-23/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyVACKQKJCXSCHJY-UHFFFAOYSA-N
XLogP3.62
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(1-ethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]azepane
CID 44824519
4-(1-ethyl-3-methylpyrazol-4-yl)-2-(3-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine
CID 44824492
N-ethyl-4-(1-ethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 44821865
1-[4-(1-ethyl-3-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]azepane
CID 44824502
2-(azetidin-1-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidine
CID 155432779
[1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-3-yl]methanamine
CID 103278754
4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-2-[(3R)-3-methylpiperidin-1-yl]pyrimidine
CID 51852593
4-(3-methylpiperidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563756
1-[4-(1,5-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylic acid
CID 19616664
4-[1-(azetidin-3-yl)pyrazol-4-yl]-2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidine
CID 155385428
4-pyrimidin-5-yl-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidine
CID 56859877
[2-(1-ethylpyrazol-4-yl)-7,8-dimethylquinolin-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 95046756

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylpyrazol-4-yl)-2-(3-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(1-ethylpyrazol-4-yl)-2-(3-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine (CID 44821198) is 4-(1-ethylpyrazol-4-yl)-2-(3-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(1-ethylpyrazol-4-yl)-2-(3-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(1-ethylpyrazol-4-yl)-2-(3-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine is CCn1cc(-c2cc(C(F)(F)F)nc(N3CCCC(C)C3)n2)cn1.
What is the InChIKey of 4-(1-ethylpyrazol-4-yl)-2-(3-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine?
The InChIKey is VACKQKJCXSCHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5/c1-3-24-10-12(8-20-24)13-7-14(16(17,18)19)22-15(21-13)23-6-4-5-11(2)9-23/h7-8,10-11H,3-6,9H2,1-2H3.
What are the key properties of 4-(1-ethylpyrazol-4-yl)-2-(3-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine?
4-(1-ethylpyrazol-4-yl)-2-(3-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine has a molecular weight of 339.37 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylpyrazol-4-yl)-2-(3-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 44821198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).