(3S)-3-[3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]piperidine

C14H15F2N3 — CID 141288508

IUPAC(3S)-3-[3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]piperidine
SMILESFc1ccc(-c2cc([C@H]3CCCNC3)[nH]n2)c(F)c1
InChIInChI=1S/C14H15F2N3/c15-10-3-4-11(12(16)6-10)14-7-13(18-19-14)9-2-1-5-17-8-9/h3-4,6-7,9,17H,1-2,5,8H2,(H,18,19)/t9-/m0/s1
InChIKeyIJYRQJQLDGJNLJ-VIFPVBQESA-N
MW263.29 g/mol
LogP2.82
Rot. Bonds2

About (3S)-3-[3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]piperidine

(3S)-3-[3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]piperidine (PubChem CID 141288508) has the molecular formula C14H15F2N3 and a molecular weight of 263.29 g/mol. Its IUPAC name is (3S)-3-[3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name(3S)-3-[3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]piperidine
PubChem CID141288508
Molecular FormulaC14H15F2N3
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name(3S)-3-[3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]piperidine
SMILESFc1ccc(-c2cc([C@H]3CCCNC3)[nH]n2)c(F)c1
InChIInChI=1S/C14H15F2N3/c15-10-3-4-11(12(16)6-10)14-7-13(18-19-14)9-2-1-5-17-8-9/h3-4,6-7,9,17H,1-2,5,8H2,(H,18,19)/t9-/m0/s1
InChIKeyIJYRQJQLDGJNLJ-VIFPVBQESA-N
XLogP2.82
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]piperidine
CID 141288555
2-[5-[(3S)-piperidin-3-yl]-1H-pyrazol-3-yl]pyrazine;dihydrochloride
CID 141288561
2-[5-[(3S)-piperidin-3-yl]-1H-pyrazol-3-yl]-1H-indole;hydrochloride
CID 141269036
(3S)-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-pyrazol-5-yl]piperidine
CID 141269013
(3R)-3-(2-bromo-5-fluorophenyl)piperidine
CID 130626655
3-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]piperidine
CID 43651028
5-[(3R)-piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 92615149
2-(azetidin-3-yl)-4-(2,4-difluorophenyl)pyrimidine
CID 116898716
6-fluoro-4-piperidin-3-ylquinazoline
CID 105489378
(3S)-3-(3-fluorophenyl)piperidine;hydrochloride
CID 45074276
2-(azetidin-3-yl)-4-(2,4-difluorophenyl)-1,3-thiazole
CID 116965323
4-(4-fluoro-2-methoxyphenyl)-2-[(3R)-piperidin-3-yl]-1,3-thiazole
CID 177184061

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]piperidine?
The IUPAC name of (3S)-3-[3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]piperidine (CID 141288508) is (3S)-3-[3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]piperidine.
What is the SMILES notation for (3S)-3-[3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]piperidine?
The canonical SMILES for (3S)-3-[3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]piperidine is Fc1ccc(-c2cc([C@H]3CCCNC3)[nH]n2)c(F)c1.
What is the InChIKey of (3S)-3-[3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]piperidine?
The InChIKey is IJYRQJQLDGJNLJ-VIFPVBQESA-N. The full InChI is InChI=1S/C14H15F2N3/c15-10-3-4-11(12(16)6-10)14-7-13(18-19-14)9-2-1-5-17-8-9/h3-4,6-7,9,17H,1-2,5,8H2,(H,18,19)/t9-/m0/s1.
What are the key properties of (3S)-3-[3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]piperidine?
(3S)-3-[3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]piperidine has a molecular weight of 263.29 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]piperidine is sourced from PubChem (CID 141288508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).