(3S)-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine

C11H19N3 — CID 96623523

IUPAC(3S)-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine
SMILESCC(C)c1cn[nH]c1[C@H]1CCCNC1
InChIInChI=1S/C11H19N3/c1-8(2)10-7-13-14-11(10)9-4-3-5-12-6-9/h7-9,12H,3-6H2,1-2H3,(H,13,14)/t9-/m0/s1
InChIKeyAEJICHUDVFIESG-VIFPVBQESA-N
MW193.29 g/mol
LogP2.00
Rot. Bonds2

About (3S)-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine

(3S)-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine (PubChem CID 96623523) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is (3S)-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name(3S)-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine
PubChem CID96623523
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name(3S)-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine
SMILESCC(C)c1cn[nH]c1[C@H]1CCCNC1
InChIInChI=1S/C11H19N3/c1-8(2)10-7-13-14-11(10)9-4-3-5-12-6-9/h7-9,12H,3-6H2,1-2H3,(H,13,14)/t9-/m0/s1
InChIKeyAEJICHUDVFIESG-VIFPVBQESA-N
XLogP2.00
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine
CID 92614938
3-(2-propan-2-yl-1H-imidazol-5-yl)piperidine
CID 82656850
5-piperidin-3-yl-1H-pyrazole-4-carboxamide;hydrochloride
CID 126780501
3-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidine
CID 82380463
(3R)-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 125171992
(3R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine
CID 99937812
(3S)-3-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine
CID 95839881
3-(4-propan-2-ylphenyl)piperidine
CID 58015975
1-[1-(5-cyclopropyl-1H-pyrazol-4-yl)ethyl]piperazine
CID 83889597
(3S)-3-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]piperidine
CID 124858934
(3S)-1-[(2R)-2-phenylpropyl]-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine
CID 98760298
2-methyl-5-piperidin-3-ylpyrazine
CID 82599606

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine?
The IUPAC name of (3S)-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine (CID 96623523) is (3S)-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for (3S)-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine?
The canonical SMILES for (3S)-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine is CC(C)c1cn[nH]c1[C@H]1CCCNC1.
What is the InChIKey of (3S)-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine?
The InChIKey is AEJICHUDVFIESG-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19N3/c1-8(2)10-7-13-14-11(10)9-4-3-5-12-6-9/h7-9,12H,3-6H2,1-2H3,(H,13,14)/t9-/m0/s1.
What are the key properties of (3S)-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine?
(3S)-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine has a molecular weight of 193.29 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 96623523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).