4-methoxy-6-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine

C14H16F3N5O — CID 136532458

IUPAC4-methoxy-6-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine
SMILESCOc1cc(N2CCC(n3ccc(C(F)(F)F)n3)CC2)ncn1
InChIInChI=1S/C14H16F3N5O/c1-23-13-8-12(18-9-19-13)21-5-2-10(3-6-21)22-7-4-11(20-22)14(15,16)17/h4,7-10H,2-3,5-6H2,1H3
InChIKeySLIDIQPPTROFNB-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.54
Rot. Bonds3

About 4-methoxy-6-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine

4-methoxy-6-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine (PubChem CID 136532458) has the molecular formula C14H16F3N5O and a molecular weight of 327.31 g/mol. Its IUPAC name is 4-methoxy-6-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methoxy-6-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine
PubChem CID136532458
Molecular FormulaC14H16F3N5O
Molecular Weight327.31 g/mol
Exact Mass327.13
IUPAC Name4-methoxy-6-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine
SMILESCOc1cc(N2CCC(n3ccc(C(F)(F)F)n3)CC2)ncn1
InChIInChI=1S/C14H16F3N5O/c1-23-13-8-12(18-9-19-13)21-5-2-10(3-6-21)22-7-4-11(20-22)14(15,16)17/h4,7-10H,2-3,5-6H2,1H3
InChIKeySLIDIQPPTROFNB-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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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine?
The IUPAC name of 4-methoxy-6-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine (CID 136532458) is 4-methoxy-6-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-methoxy-6-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-methoxy-6-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine is COc1cc(N2CCC(n3ccc(C(F)(F)F)n3)CC2)ncn1.
What is the InChIKey of 4-methoxy-6-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine?
The InChIKey is SLIDIQPPTROFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O/c1-23-13-8-12(18-9-19-13)21-5-2-10(3-6-21)22-7-4-11(20-22)14(15,16)17/h4,7-10H,2-3,5-6H2,1H3.
What are the key properties of 4-methoxy-6-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine?
4-methoxy-6-[4-[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-6-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 136532458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).