4,5-dimethyl-2-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine

C15H18F3N5 — CID 125137365

IUPAC4,5-dimethyl-2-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine
SMILESCc1cnc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)nc1C
InChIInChI=1S/C15H18F3N5/c1-10-8-19-14(20-11(10)2)22-6-3-4-12(9-22)23-7-5-13(21-23)15(16,17)18/h5,7-8,12H,3-4,6,9H2,1-2H3/t12-/m0/s1
InChIKeyDSVIKZMFJNNWKD-LBPRGKRZSA-N
MW325.34 g/mol
LogP3.15
Rot. Bonds2

About 4,5-dimethyl-2-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine

4,5-dimethyl-2-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine (PubChem CID 125137365) has the molecular formula C15H18F3N5 and a molecular weight of 325.34 g/mol. Its IUPAC name is 4,5-dimethyl-2-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4,5-dimethyl-2-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine
PubChem CID125137365
Molecular FormulaC15H18F3N5
Molecular Weight325.34 g/mol
Exact Mass325.15
IUPAC Name4,5-dimethyl-2-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine
SMILESCc1cnc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)nc1C
InChIInChI=1S/C15H18F3N5/c1-10-8-19-14(20-11(10)2)22-6-3-4-12(9-22)23-7-5-13(21-23)15(16,17)18/h5,7-8,12H,3-4,6,9H2,1-2H3/t12-/m0/s1
InChIKeyDSVIKZMFJNNWKD-LBPRGKRZSA-N
XLogP3.15
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine?
The IUPAC name of 4,5-dimethyl-2-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine (CID 125137365) is 4,5-dimethyl-2-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4,5-dimethyl-2-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 4,5-dimethyl-2-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine is Cc1cnc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)nc1C.
What is the InChIKey of 4,5-dimethyl-2-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine?
The InChIKey is DSVIKZMFJNNWKD-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18F3N5/c1-10-8-19-14(20-11(10)2)22-6-3-4-12(9-22)23-7-5-13(21-23)15(16,17)18/h5,7-8,12H,3-4,6,9H2,1-2H3/t12-/m0/s1.
What are the key properties of 4,5-dimethyl-2-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine?
4,5-dimethyl-2-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine has a molecular weight of 325.34 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 125137365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).