1,3-dimethyl-5-(1-piperidin-1-ylpropan-2-ylamino)pyrazole-4-carbonitrile

C14H23N5 — CID 63758194

IUPAC1,3-dimethyl-5-(1-piperidin-1-ylpropan-2-ylamino)pyrazole-4-carbonitrile
SMILESCc1nn(C)c(NC(C)CN2CCCCC2)c1C#N
InChIInChI=1S/C14H23N5/c1-11(10-19-7-5-4-6-8-19)16-14-13(9-15)12(2)17-18(14)3/h11,16H,4-8,10H2,1-3H3
InChIKeyYVBVLIAIBSLHGM-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.89
Rot. Bonds4

About 1,3-dimethyl-5-(1-piperidin-1-ylpropan-2-ylamino)pyrazole-4-carbonitrile

1,3-dimethyl-5-(1-piperidin-1-ylpropan-2-ylamino)pyrazole-4-carbonitrile (PubChem CID 63758194) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1,3-dimethyl-5-(1-piperidin-1-ylpropan-2-ylamino)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-5-(1-piperidin-1-ylpropan-2-ylamino)pyrazole-4-carbonitrile
PubChem CID63758194
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name1,3-dimethyl-5-(1-piperidin-1-ylpropan-2-ylamino)pyrazole-4-carbonitrile
SMILESCc1nn(C)c(NC(C)CN2CCCCC2)c1C#N
InChIInChI=1S/C14H23N5/c1-11(10-19-7-5-4-6-8-19)16-14-13(9-15)12(2)17-18(14)3/h11,16H,4-8,10H2,1-3H3
InChIKeyYVBVLIAIBSLHGM-UHFFFAOYSA-N
XLogP1.89
TPSA56.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-hydroxy-2-methylpropyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
CID 65036129
ethyl 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]propanoate
CID 63758021
1,3-dimethyl-5-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-4,5-diamine
CID 54965110
1,3-dimethyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyrazole-4-carbonitrile
CID 63757848
2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-ethylpropanamide
CID 63757679
5-(ethylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 63757322
1-ethyl-3-methyl-4-nitro-N-(1-piperidin-1-ylpropan-2-yl)pyrazol-5-amine
CID 66012792
1,3-dimethyl-5-(1-piperidin-3-ylethylamino)pyrazole-4-carbonitrile
CID 63758031
5,6-diethyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridazine-4-carbonitrile
CID 80504642
5-[1-(3-bromophenyl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63756467
1,3-dimethyl-5-[(1-methylpiperidin-3-yl)methylamino]pyrazole-4-carbonitrile
CID 63757336
5-[1-(4-methoxyphenyl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 66197582

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(1-piperidin-1-ylpropan-2-ylamino)pyrazole-4-carbonitrile?
The IUPAC name of 1,3-dimethyl-5-(1-piperidin-1-ylpropan-2-ylamino)pyrazole-4-carbonitrile (CID 63758194) is 1,3-dimethyl-5-(1-piperidin-1-ylpropan-2-ylamino)pyrazole-4-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-5-(1-piperidin-1-ylpropan-2-ylamino)pyrazole-4-carbonitrile?
The canonical SMILES for 1,3-dimethyl-5-(1-piperidin-1-ylpropan-2-ylamino)pyrazole-4-carbonitrile is Cc1nn(C)c(NC(C)CN2CCCCC2)c1C#N.
What is the InChIKey of 1,3-dimethyl-5-(1-piperidin-1-ylpropan-2-ylamino)pyrazole-4-carbonitrile?
The InChIKey is YVBVLIAIBSLHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-11(10-19-7-5-4-6-8-19)16-14-13(9-15)12(2)17-18(14)3/h11,16H,4-8,10H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-(1-piperidin-1-ylpropan-2-ylamino)pyrazole-4-carbonitrile?
1,3-dimethyl-5-(1-piperidin-1-ylpropan-2-ylamino)pyrazole-4-carbonitrile has a molecular weight of 261.37 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(1-piperidin-1-ylpropan-2-ylamino)pyrazole-4-carbonitrile is sourced from PubChem (CID 63758194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).