3-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]piperidine

C13H22N4 — CID 105495229

IUPAC3-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]piperidine
SMILESCN1CCC(n2cc(C3CCCNC3)cn2)C1
InChIInChI=1S/C13H22N4/c1-16-6-4-13(10-16)17-9-12(8-15-17)11-3-2-5-14-7-11/h8-9,11,13-14H,2-7,10H2,1H3
InChIKeyITAQKTXEAQGVGP-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.23
Rot. Bonds2

About 3-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]piperidine

3-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]piperidine (PubChem CID 105495229) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 3-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]piperidine.

Molecular Properties

Compound Name3-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]piperidine
PubChem CID105495229
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name3-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]piperidine
SMILESCN1CCC(n2cc(C3CCCNC3)cn2)C1
InChIInChI=1S/C13H22N4/c1-16-6-4-13(10-16)17-9-12(8-15-17)11-3-2-5-14-7-11/h8-9,11,13-14H,2-7,10H2,1H3
InChIKeyITAQKTXEAQGVGP-UHFFFAOYSA-N
XLogP1.23
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylpyrrolidin-3-yl)-4-pyrrolidin-3-ylpyrazole
CID 105476564
1-cycloheptyl-4-pyrrolidin-3-ylpyrazole
CID 105493602
4-methyl-1-(1-methylpyrrolidin-3-yl)pyrazole
CID 70661033
5-(azetidin-3-yl)-1-(1-methylpyrrolidin-3-yl)imidazole
CID 114719037
3-[1-(2-methylpropyl)pyrazol-4-yl]piperidine
CID 105461143
(3R)-3-(4-tert-butylpyrazol-1-yl)piperidine
CID 170927501
1-methyl-3-(3-piperidin-3-ylphenyl)piperidine
CID 116988809
2-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]ethanol
CID 105449213
1-methyl-3-(4-piperidin-3-ylphenoxy)piperidine
CID 117438888
3-[4-(2-fluoropropan-2-yl)pyrazol-1-yl]piperidine
CID 84734594
4-(4-bromopyrazol-1-yl)-1-(piperidin-3-ylmethyl)piperidine
CID 119931610
N,N-dimethyl-1-[(3S)-piperidin-3-yl]pyrazol-4-amine
CID 170247526

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]piperidine?
The IUPAC name of 3-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]piperidine (CID 105495229) is 3-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]piperidine.
What is the SMILES notation for 3-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]piperidine?
The canonical SMILES for 3-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]piperidine is CN1CCC(n2cc(C3CCCNC3)cn2)C1.
What is the InChIKey of 3-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]piperidine?
The InChIKey is ITAQKTXEAQGVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-16-6-4-13(10-16)17-9-12(8-15-17)11-3-2-5-14-7-11/h8-9,11,13-14H,2-7,10H2,1H3.
What are the key properties of 3-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]piperidine?
3-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]piperidine has a molecular weight of 234.35 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]piperidine is sourced from PubChem (CID 105495229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).