1,3-dimethyl-5-(1-piperidin-3-ylethylamino)pyrazole-4-carbonitrile

C13H21N5 — CID 63758031

IUPAC1,3-dimethyl-5-(1-piperidin-3-ylethylamino)pyrazole-4-carbonitrile
SMILESCc1nn(C)c(NC(C)C2CCCNC2)c1C#N
InChIInChI=1S/C13H21N5/c1-9(11-5-4-6-15-8-11)16-13-12(7-14)10(2)17-18(13)3/h9,11,15-16H,4-6,8H2,1-3H3
InChIKeyVXPWXOIVRUYCJF-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.40
Rot. Bonds3

About 1,3-dimethyl-5-(1-piperidin-3-ylethylamino)pyrazole-4-carbonitrile

1,3-dimethyl-5-(1-piperidin-3-ylethylamino)pyrazole-4-carbonitrile (PubChem CID 63758031) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 1,3-dimethyl-5-(1-piperidin-3-ylethylamino)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-5-(1-piperidin-3-ylethylamino)pyrazole-4-carbonitrile
PubChem CID63758031
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name1,3-dimethyl-5-(1-piperidin-3-ylethylamino)pyrazole-4-carbonitrile
SMILESCc1nn(C)c(NC(C)C2CCCNC2)c1C#N
InChIInChI=1S/C13H21N5/c1-9(11-5-4-6-15-8-11)16-13-12(7-14)10(2)17-18(13)3/h9,11,15-16H,4-6,8H2,1-3H3
InChIKeyVXPWXOIVRUYCJF-UHFFFAOYSA-N
XLogP1.40
TPSA65.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dimethyl-5-(1-piperidin-3-ylethylamino)pyrazole-4-carboxamide
CID 63757859
3-(1-piperidin-3-ylethylamino)pyrazine-2-carbonitrile
CID 55104640
1,3-dimethyl-5-(piperidin-3-ylmethoxy)pyrazole-4-carbonitrile
CID 55241528
3-methyl-2-(1-piperidin-3-ylethylamino)benzonitrile
CID 107111358
1,3-dimethyl-5-(1-piperidin-1-ylpropan-2-ylamino)pyrazole-4-carbonitrile
CID 63758194
4,6-dimethyl-N-(1-piperidin-3-ylethyl)pyrimidin-2-amine
CID 62044870
3,5-dimethyl-1-pyrrolidin-3-ylpyrazole-4-carbonitrile
CID 105444436
1,3-dimethyl-5-[(3-methylcyclopentyl)amino]pyrazole-4-carbonitrile
CID 114546534
1,3-dimethyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyrazole-4-carbonitrile
CID 63757848
1,3-dimethyl-5-[1-(1H-pyrazol-4-yl)ethylamino]pyrazole-4-carbonitrile
CID 114159097
5-[(4-ethylcyclohexyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63757333
5,6-dimethyl-3-(piperidin-3-ylamino)pyridazine-4-carbonitrile
CID 78990540

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(1-piperidin-3-ylethylamino)pyrazole-4-carbonitrile?
The IUPAC name of 1,3-dimethyl-5-(1-piperidin-3-ylethylamino)pyrazole-4-carbonitrile (CID 63758031) is 1,3-dimethyl-5-(1-piperidin-3-ylethylamino)pyrazole-4-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-5-(1-piperidin-3-ylethylamino)pyrazole-4-carbonitrile?
The canonical SMILES for 1,3-dimethyl-5-(1-piperidin-3-ylethylamino)pyrazole-4-carbonitrile is Cc1nn(C)c(NC(C)C2CCCNC2)c1C#N.
What is the InChIKey of 1,3-dimethyl-5-(1-piperidin-3-ylethylamino)pyrazole-4-carbonitrile?
The InChIKey is VXPWXOIVRUYCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-9(11-5-4-6-15-8-11)16-13-12(7-14)10(2)17-18(13)3/h9,11,15-16H,4-6,8H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-(1-piperidin-3-ylethylamino)pyrazole-4-carbonitrile?
1,3-dimethyl-5-(1-piperidin-3-ylethylamino)pyrazole-4-carbonitrile has a molecular weight of 247.35 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(1-piperidin-3-ylethylamino)pyrazole-4-carbonitrile is sourced from PubChem (CID 63758031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).