(3S)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine

C15H20F3N5 — CID 125139428

IUPAC(3S)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
SMILESCCn1cc(CN2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)cn1
InChIInChI=1S/C15H20F3N5/c1-2-23-9-11(6-20-23)8-22-5-3-4-12(10-22)14-19-7-13(21-14)15(16,17)18/h6-7,9,12H,2-5,8,10H2,1H3,(H,19,21)/t12-/m0/s1
InChIKeySMZCYQLPFMQBFJ-LBPRGKRZSA-N
MW327.35 g/mol
LogP3.02
Rot. Bonds4

About (3S)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine

(3S)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine (PubChem CID 125139428) has the molecular formula C15H20F3N5 and a molecular weight of 327.35 g/mol. Its IUPAC name is (3S)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine.

Molecular Properties

Compound Name(3S)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
PubChem CID125139428
Molecular FormulaC15H20F3N5
Molecular Weight327.35 g/mol
Exact Mass327.17
IUPAC Name(3S)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
SMILESCCn1cc(CN2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)cn1
InChIInChI=1S/C15H20F3N5/c1-2-23-9-11(6-20-23)8-22-5-3-4-12(10-22)14-19-7-13(21-14)15(16,17)18/h6-7,9,12H,2-5,8,10H2,1H3,(H,19,21)/t12-/m0/s1
InChIKeySMZCYQLPFMQBFJ-LBPRGKRZSA-N
XLogP3.02
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine?
The IUPAC name of (3S)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine (CID 125139428) is (3S)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine.
What is the SMILES notation for (3S)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine?
The canonical SMILES for (3S)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine is CCn1cc(CN2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)cn1.
What is the InChIKey of (3S)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine?
The InChIKey is SMZCYQLPFMQBFJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20F3N5/c1-2-23-9-11(6-20-23)8-22-5-3-4-12(10-22)14-19-7-13(21-14)15(16,17)18/h6-7,9,12H,2-5,8,10H2,1H3,(H,19,21)/t12-/m0/s1.
What are the key properties of (3S)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine?
(3S)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine has a molecular weight of 327.35 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine is sourced from PubChem (CID 125139428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).