1,3-dimethyl-5-(4-propan-2-ylpiperidin-1-yl)pyrazole-4-carbonitrile

C14H22N4 — CID 103495549

IUPAC1,3-dimethyl-5-(4-propan-2-ylpiperidin-1-yl)pyrazole-4-carbonitrile
SMILESCc1nn(C)c(N2CCC(C(C)C)CC2)c1C#N
InChIInChI=1S/C14H22N4/c1-10(2)12-5-7-18(8-6-12)14-13(9-15)11(3)16-17(14)4/h10,12H,5-8H2,1-4H3
InChIKeyFYYLHHAXLJYLJJ-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.47
Rot. Bonds2

About 1,3-dimethyl-5-(4-propan-2-ylpiperidin-1-yl)pyrazole-4-carbonitrile

1,3-dimethyl-5-(4-propan-2-ylpiperidin-1-yl)pyrazole-4-carbonitrile (PubChem CID 103495549) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 1,3-dimethyl-5-(4-propan-2-ylpiperidin-1-yl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-5-(4-propan-2-ylpiperidin-1-yl)pyrazole-4-carbonitrile
PubChem CID103495549
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name1,3-dimethyl-5-(4-propan-2-ylpiperidin-1-yl)pyrazole-4-carbonitrile
SMILESCc1nn(C)c(N2CCC(C(C)C)CC2)c1C#N
InChIInChI=1S/C14H22N4/c1-10(2)12-5-7-18(8-6-12)14-13(9-15)11(3)16-17(14)4/h10,12H,5-8H2,1-4H3
InChIKeyFYYLHHAXLJYLJJ-UHFFFAOYSA-N
XLogP2.47
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-dimethylpyrazole-4-carbonitrile
CID 106835917
1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidine-4-carboxylic acid
CID 63758860
1,3-dimethyl-5-(1-oxo-1,4-thiazinan-4-yl)pyrazole-4-carbonitrile
CID 55242702
5-(3-aminoazetidin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile
CID 65249409
5-(3,5-dimethylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile
CID 63758006
3-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-3-yl]butanoic acid
CID 81048188
5-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-1,3-dimethylpyrazole-4-carbonitrile
CID 63756972
1-(4-cyano-1,3-dimethylpyrazol-5-yl)-4-ethylpiperidine-4-carboxylic acid
CID 63757489
1,3-dimethyl-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyrazole-4-carbonitrile
CID 114410006
3-[4-(4-cyano-1,3-dimethylpyrazol-5-yl)piperazin-1-yl]propanoic acid
CID 63758516
1,3-dimethyl-5-(2-methyl-1,4-oxazepan-4-yl)pyrazole-4-carbonitrile
CID 63752329
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile
CID 65320667

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(4-propan-2-ylpiperidin-1-yl)pyrazole-4-carbonitrile?
The IUPAC name of 1,3-dimethyl-5-(4-propan-2-ylpiperidin-1-yl)pyrazole-4-carbonitrile (CID 103495549) is 1,3-dimethyl-5-(4-propan-2-ylpiperidin-1-yl)pyrazole-4-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-5-(4-propan-2-ylpiperidin-1-yl)pyrazole-4-carbonitrile?
The canonical SMILES for 1,3-dimethyl-5-(4-propan-2-ylpiperidin-1-yl)pyrazole-4-carbonitrile is Cc1nn(C)c(N2CCC(C(C)C)CC2)c1C#N.
What is the InChIKey of 1,3-dimethyl-5-(4-propan-2-ylpiperidin-1-yl)pyrazole-4-carbonitrile?
The InChIKey is FYYLHHAXLJYLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-10(2)12-5-7-18(8-6-12)14-13(9-15)11(3)16-17(14)4/h10,12H,5-8H2,1-4H3.
What are the key properties of 1,3-dimethyl-5-(4-propan-2-ylpiperidin-1-yl)pyrazole-4-carbonitrile?
1,3-dimethyl-5-(4-propan-2-ylpiperidin-1-yl)pyrazole-4-carbonitrile has a molecular weight of 246.36 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(4-propan-2-ylpiperidin-1-yl)pyrazole-4-carbonitrile is sourced from PubChem (CID 103495549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).