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

C11H19N3 — CID 139409596

IUPAC4-propan-2-yl-1-(1H-pyrazol-5-yl)piperidine
SMILESCC(C)C1CCN(c2ccn[nH]2)CC1
InChIInChI=1S/C11H19N3/c1-9(2)10-4-7-14(8-5-10)11-3-6-12-13-11/h3,6,9-10H,4-5,7-8H2,1-2H3,(H,12,13)
InChIKeyCAIWHDOUEPTMAP-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.28
Rot. Bonds2

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

4-propan-2-yl-1-(1H-pyrazol-5-yl)piperidine (PubChem CID 139409596) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-propan-2-yl-1-(1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name4-propan-2-yl-1-(1H-pyrazol-5-yl)piperidine
PubChem CID139409596
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name4-propan-2-yl-1-(1H-pyrazol-5-yl)piperidine
SMILESCC(C)C1CCN(c2ccn[nH]2)CC1
InChIInChI=1S/C11H19N3/c1-9(2)10-4-7-14(8-5-10)11-3-6-12-13-11/h3,6,9-10H,4-5,7-8H2,1-2H3,(H,12,13)
InChIKeyCAIWHDOUEPTMAP-UHFFFAOYSA-N
XLogP2.28
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Piperidino-pyrazole
CID 21416212
N,N-diethyl-1H-pyrazol-5-amine
CID 57421378
1-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 67519680
1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-amine
CID 126677628
(3R)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidine
CID 126677645
(3S)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-amine
CID 126677646
1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidine
CID 145270690
[1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-yl]azanium
CID 145270934
(3R)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-amine
CID 170346897
(3S)-3-methyl-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidine
CID 162598610
N-(4,4-dimethylpentyl)-1H-pyrazol-5-amine
CID 20774380
N-ethyl-N-methyl-1H-pyrazol-5-amine
CID 23369220

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1-(1H-pyrazol-5-yl)piperidine?
The IUPAC name of 4-propan-2-yl-1-(1H-pyrazol-5-yl)piperidine (CID 139409596) is 4-propan-2-yl-1-(1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for 4-propan-2-yl-1-(1H-pyrazol-5-yl)piperidine?
The canonical SMILES for 4-propan-2-yl-1-(1H-pyrazol-5-yl)piperidine is CC(C)C1CCN(c2ccn[nH]2)CC1.
What is the InChIKey of 4-propan-2-yl-1-(1H-pyrazol-5-yl)piperidine?
The InChIKey is CAIWHDOUEPTMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-9(2)10-4-7-14(8-5-10)11-3-6-12-13-11/h3,6,9-10H,4-5,7-8H2,1-2H3,(H,12,13).
What are the key properties of 4-propan-2-yl-1-(1H-pyrazol-5-yl)piperidine?
4-propan-2-yl-1-(1H-pyrazol-5-yl)piperidine has a molecular weight of 193.29 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1-(1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 139409596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).