2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine

C14H16F3N5 — CID 86773020

IUPAC2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine
SMILESCn1cc(C2CCN(c3nccc(C(F)(F)F)n3)CC2)cn1
InChIInChI=1S/C14H16F3N5/c1-21-9-11(8-19-21)10-3-6-22(7-4-10)13-18-5-2-12(20-13)14(15,16)17/h2,5,8-10H,3-4,6-7H2,1H3
InChIKeyCFFDQLPNUIRPIQ-UHFFFAOYSA-N
MW311.31 g/mol
LogP2.61
Rot. Bonds2

About 2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine

2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine (PubChem CID 86773020) has the molecular formula C14H16F3N5 and a molecular weight of 311.31 g/mol. Its IUPAC name is 2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine
PubChem CID86773020
Molecular FormulaC14H16F3N5
Molecular Weight311.31 g/mol
Exact Mass311.14
IUPAC Name2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine
SMILESCn1cc(C2CCN(c3nccc(C(F)(F)F)n3)CC2)cn1
InChIInChI=1S/C14H16F3N5/c1-21-9-11(8-19-21)10-3-6-22(7-4-10)13-18-5-2-12(20-13)14(15,16)17/h2,5,8-10H,3-4,6-7H2,1H3
InChIKeyCFFDQLPNUIRPIQ-UHFFFAOYSA-N
XLogP2.61
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine (CID 86773020) is 2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine is Cn1cc(C2CCN(c3nccc(C(F)(F)F)n3)CC2)cn1.
What is the InChIKey of 2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine?
The InChIKey is CFFDQLPNUIRPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5/c1-21-9-11(8-19-21)10-3-6-22(7-4-10)13-18-5-2-12(20-13)14(15,16)17/h2,5,8-10H,3-4,6-7H2,1H3.
What are the key properties of 2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine?
2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine has a molecular weight of 311.31 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 86773020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).