2-(3,5-dimethyl-1-piperidin-3-ylpyrazol-4-yl)acetonitrile

C12H18N4 — CID 105473102

IUPAC2-(3,5-dimethyl-1-piperidin-3-ylpyrazol-4-yl)acetonitrile
SMILESCc1nn(C2CCCNC2)c(C)c1CC#N
InChIInChI=1S/C12H18N4/c1-9-12(5-6-13)10(2)16(15-9)11-4-3-7-14-8-11/h11,14H,3-5,7-8H2,1-2H3
InChIKeyNKIJGCCQUUXKNT-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.49
Rot. Bonds2

About 2-(3,5-dimethyl-1-piperidin-3-ylpyrazol-4-yl)acetonitrile

2-(3,5-dimethyl-1-piperidin-3-ylpyrazol-4-yl)acetonitrile (PubChem CID 105473102) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-piperidin-3-ylpyrazol-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-piperidin-3-ylpyrazol-4-yl)acetonitrile
PubChem CID105473102
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name2-(3,5-dimethyl-1-piperidin-3-ylpyrazol-4-yl)acetonitrile
SMILESCc1nn(C2CCCNC2)c(C)c1CC#N
InChIInChI=1S/C12H18N4/c1-9-12(5-6-13)10(2)16(15-9)11-4-3-7-14-8-11/h11,14H,3-5,7-8H2,1-2H3
InChIKeyNKIJGCCQUUXKNT-UHFFFAOYSA-N
XLogP1.49
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethyl-1-pyrrolidin-3-ylpyrazol-4-yl)acetonitrile
CID 105456653
3,5-dimethyl-1-pyrrolidin-3-ylpyrazole-4-carbonitrile
CID 105444436
1-(3,5-dimethyl-1-piperidin-3-ylpyrazol-4-yl)cyclopropan-1-amine
CID 105495263
1-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)-N-methylmethanamine
CID 61272512
3-(3,5-dimethylpyrazol-1-yl)piperidine
CID 54592912
4,6-dimethyl-2-[(3R)-piperidin-3-yl]pyridazin-3-one
CID 166162675
1-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)butan-2-amine
CID 62730242
2-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)ethanol
CID 105498185
3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)propan-1-amine
CID 79225212
5-amino-1-piperidin-3-ylpyrazole-4-carbonitrile;hydrochloride
CID 162313016
3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)-N-methylpropan-1-amine
CID 79225067
3-(5-ethylpyrazol-1-yl)piperidine
CID 84768027

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-piperidin-3-ylpyrazol-4-yl)acetonitrile?
The IUPAC name of 2-(3,5-dimethyl-1-piperidin-3-ylpyrazol-4-yl)acetonitrile (CID 105473102) is 2-(3,5-dimethyl-1-piperidin-3-ylpyrazol-4-yl)acetonitrile.
What is the SMILES notation for 2-(3,5-dimethyl-1-piperidin-3-ylpyrazol-4-yl)acetonitrile?
The canonical SMILES for 2-(3,5-dimethyl-1-piperidin-3-ylpyrazol-4-yl)acetonitrile is Cc1nn(C2CCCNC2)c(C)c1CC#N.
What is the InChIKey of 2-(3,5-dimethyl-1-piperidin-3-ylpyrazol-4-yl)acetonitrile?
The InChIKey is NKIJGCCQUUXKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-9-12(5-6-13)10(2)16(15-9)11-4-3-7-14-8-11/h11,14H,3-5,7-8H2,1-2H3.
What are the key properties of 2-(3,5-dimethyl-1-piperidin-3-ylpyrazol-4-yl)acetonitrile?
2-(3,5-dimethyl-1-piperidin-3-ylpyrazol-4-yl)acetonitrile has a molecular weight of 218.30 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-piperidin-3-ylpyrazol-4-yl)acetonitrile is sourced from PubChem (CID 105473102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).