4-methoxy-2-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine

C14H16F3N5O — CID 133450992

IUPAC4-methoxy-2-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine
SMILESCOc1ccnc(N2CCCC(n3ccc(C(F)(F)F)n3)C2)n1
InChIInChI=1S/C14H16F3N5O/c1-23-12-4-6-18-13(19-12)21-7-2-3-10(9-21)22-8-5-11(20-22)14(15,16)17/h4-6,8,10H,2-3,7,9H2,1H3
InChIKeyUNDFGUOTVKDPOI-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.54
Rot. Bonds3

About 4-methoxy-2-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine

4-methoxy-2-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine (PubChem CID 133450992) has the molecular formula C14H16F3N5O and a molecular weight of 327.31 g/mol. Its IUPAC name is 4-methoxy-2-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methoxy-2-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine
PubChem CID133450992
Molecular FormulaC14H16F3N5O
Molecular Weight327.31 g/mol
Exact Mass327.13
IUPAC Name4-methoxy-2-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine
SMILESCOc1ccnc(N2CCCC(n3ccc(C(F)(F)F)n3)C2)n1
InChIInChI=1S/C14H16F3N5O/c1-23-12-4-6-18-13(19-12)21-7-2-3-10(9-21)22-8-5-11(20-22)14(15,16)17/h4-6,8,10H,2-3,7,9H2,1H3
InChIKeyUNDFGUOTVKDPOI-UHFFFAOYSA-N
XLogP2.54
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6-[3-(5-Methylpyrazol-1-yl)propoxy]pyrimidin-4-yl]-2-(trifluoromethyl)morpholine
CID 166627387
4-[2-(5-Methylpyrazol-1-yl)ethoxy]-6-piperidin-1-ylpyrimidine
CID 166634775
4-[3-(5-Methylpyrazol-1-yl)propoxy]-6-piperidin-1-ylpyrimidine
CID 166635102
US11578061, Example 60
CID 165385907
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine
CID 51105076
8-(6-Methoxypyrimidin-4-yl)-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane
CID 97396974
8-(6-Methoxypyrimidin-4-yl)-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 118742747
4-Ethoxy-2-(2-propylpyrazol-3-yl)pyrimidine
CID 121511647
N-[(1,3-dimethylpyrazol-4-yl)methyl]-4,6-dimethoxy-N-methylpyrimidin-2-amine
CID 131948607
4-methoxy-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrimidin-2-amine
CID 164638283
4,6-Dimethoxy-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
CID 58282667
6-Chloro-4-methoxy-2-(3-trifluoromethyl-pyrazol-1-yl)-pyrimidine
CID 58282711

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine?
The IUPAC name of 4-methoxy-2-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine (CID 133450992) is 4-methoxy-2-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-methoxy-2-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-methoxy-2-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine is COc1ccnc(N2CCCC(n3ccc(C(F)(F)F)n3)C2)n1.
What is the InChIKey of 4-methoxy-2-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine?
The InChIKey is UNDFGUOTVKDPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O/c1-23-12-4-6-18-13(19-12)21-7-2-3-10(9-21)22-8-5-11(20-22)14(15,16)17/h4-6,8,10H,2-3,7,9H2,1H3.
What are the key properties of 4-methoxy-2-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine?
4-methoxy-2-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine has a molecular weight of 327.31 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 133450992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).