2-(1-methylpiperidin-4-yl)pyrazole-3-carbonitrile

C10H14N4 — CID 84732987

IUPAC2-(1-methylpiperidin-4-yl)pyrazole-3-carbonitrile
SMILESCN1CCC(n2nccc2C#N)CC1
InChIInChI=1S/C10H14N4/c1-13-6-3-9(4-7-13)14-10(8-11)2-5-12-14/h2,5,9H,3-4,6-7H2,1H3
InChIKeyZRKRETUOYPBBBP-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.02
Rot. Bonds1

About 2-(1-methylpiperidin-4-yl)pyrazole-3-carbonitrile

2-(1-methylpiperidin-4-yl)pyrazole-3-carbonitrile (PubChem CID 84732987) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)pyrazole-3-carbonitrile.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)pyrazole-3-carbonitrile
PubChem CID84732987
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name2-(1-methylpiperidin-4-yl)pyrazole-3-carbonitrile
SMILESCN1CCC(n2nccc2C#N)CC1
InChIInChI=1S/C10H14N4/c1-13-6-3-9(4-7-13)14-10(8-11)2-5-12-14/h2,5,9H,3-4,6-7H2,1H3
InChIKeyZRKRETUOYPBBBP-UHFFFAOYSA-N
XLogP1.02
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentylpyrazole-3-carbonitrile
CID 105431659
2-(1-ethylpyrrolidin-3-yl)pyrazole-3-carbonitrile
CID 105444431
2-(azetidin-3-yl)pyrazole-3-carbonitrile
CID 84731232
4-(2-cyclopropylpyrazol-3-yl)-1-methylpiperidine
CID 176692560
2-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide
CID 71145215
2-[(2S)-oxan-2-yl]pyrazole-3-carbonitrile
CID 129410450
5-ethynyl-1-(oxan-4-yl)pyrazole
CID 155821915
2-(5-cyanopyrazol-1-yl)cyclohexane-1-carboxylic acid
CID 84735163
2-(5-cyanopyrazol-1-yl)cyclopentane-1-carboxylic acid
CID 84734034
4-[1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile
CID 45111726
2-(cyclopropylmethyl)pyrazole-3-carbonitrile
CID 84649157
4-(2-chloroimidazol-1-yl)-1-methylpiperidine
CID 84733725

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)pyrazole-3-carbonitrile?
The IUPAC name of 2-(1-methylpiperidin-4-yl)pyrazole-3-carbonitrile (CID 84732987) is 2-(1-methylpiperidin-4-yl)pyrazole-3-carbonitrile.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)pyrazole-3-carbonitrile?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)pyrazole-3-carbonitrile is CN1CCC(n2nccc2C#N)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)pyrazole-3-carbonitrile?
The InChIKey is ZRKRETUOYPBBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-13-6-3-9(4-7-13)14-10(8-11)2-5-12-14/h2,5,9H,3-4,6-7H2,1H3.
What are the key properties of 2-(1-methylpiperidin-4-yl)pyrazole-3-carbonitrile?
2-(1-methylpiperidin-4-yl)pyrazole-3-carbonitrile has a molecular weight of 190.25 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)pyrazole-3-carbonitrile is sourced from PubChem (CID 84732987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).