(3S)-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-pyrazol-5-yl]piperidine

C12H14F3N5 — CID 141269013

IUPAC(3S)-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-pyrazol-5-yl]piperidine
SMILESFC(F)(F)c1cnc(-c2cc([C@H]3CCCNC3)[nH]n2)[nH]1
InChIInChI=1S/C12H14F3N5/c13-12(14,15)10-6-17-11(18-10)9-4-8(19-20-9)7-2-1-3-16-5-7/h4,6-7,16H,1-3,5H2,(H,17,18)(H,19,20)/t7-/m0/s1
InChIKeyMNEMITBTQMWHPY-ZETCQYMHSA-N
MW285.27 g/mol
LogP2.29
Rot. Bonds2

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

(3S)-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-pyrazol-5-yl]piperidine (PubChem CID 141269013) has the molecular formula C12H14F3N5 and a molecular weight of 285.27 g/mol. Its IUPAC name is (3S)-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name(3S)-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-pyrazol-5-yl]piperidine
PubChem CID141269013
Molecular FormulaC12H14F3N5
Molecular Weight285.27 g/mol
Exact Mass285.12
IUPAC Name(3S)-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-pyrazol-5-yl]piperidine
SMILESFC(F)(F)c1cnc(-c2cc([C@H]3CCCNC3)[nH]n2)[nH]1
InChIInChI=1S/C12H14F3N5/c13-12(14,15)10-6-17-11(18-10)9-4-8(19-20-9)7-2-1-3-16-5-7/h4,6-7,16H,1-3,5H2,(H,17,18)(H,19,20)/t7-/m0/s1
InChIKeyMNEMITBTQMWHPY-ZETCQYMHSA-N
XLogP2.29
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (3S)-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-pyrazol-5-yl]piperidine with MolForge

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

Launch Full Analysis

Related Compounds

2-[5-[(3S)-piperidin-3-yl]-1H-pyrazol-3-yl]pyrazine;dihydrochloride
CID 141288561
3-(2-propan-2-yl-1H-imidazol-5-yl)piperidine
CID 82656850
(3S)-3-[3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 141288508
2-[5-[(3S)-piperidin-3-yl]-1H-pyrazol-3-yl]-1H-indole;hydrochloride
CID 141269036
(3S)-3-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]piperidine
CID 141288555
5-[(3R)-piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 92615149
2-cyclopentyl-5-(trifluoromethyl)-1H-imidazole
CID 71204532
(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)piperidine
CID 93256100
5-piperidin-3-yl-3-(trifluoromethyl)-1,2-oxazole
CID 83849509
3-[3,5-bis(trifluoromethyl)phenyl]piperidine
CID 45073834
1-(piperidin-3-ylmethyl)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine;hydrochloride
CID 119932299
N-[(3R)-piperidin-3-yl]-4-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]-1H-pyrazolo[3,4-b]pyridin-3-amine
CID 118624583

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-pyrazol-5-yl]piperidine?
The IUPAC name of (3S)-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-pyrazol-5-yl]piperidine (CID 141269013) is (3S)-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-pyrazol-5-yl]piperidine.
What is the SMILES notation for (3S)-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-pyrazol-5-yl]piperidine?
The canonical SMILES for (3S)-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-pyrazol-5-yl]piperidine is FC(F)(F)c1cnc(-c2cc([C@H]3CCCNC3)[nH]n2)[nH]1.
What is the InChIKey of (3S)-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-pyrazol-5-yl]piperidine?
The InChIKey is MNEMITBTQMWHPY-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H14F3N5/c13-12(14,15)10-6-17-11(18-10)9-4-8(19-20-9)7-2-1-3-16-5-7/h4,6-7,16H,1-3,5H2,(H,17,18)(H,19,20)/t7-/m0/s1.
What are the key properties of (3S)-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-pyrazol-5-yl]piperidine?
(3S)-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-pyrazol-5-yl]piperidine has a molecular weight of 285.27 g/mol, XLogP of 2.29, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-pyrazol-5-yl]piperidine is sourced from PubChem (CID 141269013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).