1-(4-cyano-1,3-dimethylpyrazol-5-yl)-N-methylpiperidine-3-carboxamide

C13H19N5O — CID 103195546

IUPAC1-(4-cyano-1,3-dimethylpyrazol-5-yl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2c(C#N)c(C)nn2C)C1
InChIInChI=1S/C13H19N5O/c1-9-11(7-14)13(17(3)16-9)18-6-4-5-10(8-18)12(19)15-2/h10H,4-6,8H2,1-3H3,(H,15,19)
InChIKeyYAYDICHIQTXQKM-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.56
Rot. Bonds2

About 1-(4-cyano-1,3-dimethylpyrazol-5-yl)-N-methylpiperidine-3-carboxamide

1-(4-cyano-1,3-dimethylpyrazol-5-yl)-N-methylpiperidine-3-carboxamide (PubChem CID 103195546) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 1-(4-cyano-1,3-dimethylpyrazol-5-yl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-cyano-1,3-dimethylpyrazol-5-yl)-N-methylpiperidine-3-carboxamide
PubChem CID103195546
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name1-(4-cyano-1,3-dimethylpyrazol-5-yl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2c(C#N)c(C)nn2C)C1
InChIInChI=1S/C13H19N5O/c1-9-11(7-14)13(17(3)16-9)18-6-4-5-10(8-18)12(19)15-2/h10H,4-6,8H2,1-3H3,(H,15,19)
InChIKeyYAYDICHIQTXQKM-UHFFFAOYSA-N
XLogP0.56
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-carbamothioyl-1,3-dimethylpyrazol-5-yl)-N-methylpiperidine-3-carboxamide
CID 103195947
1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidine-4-carboxylic acid
CID 63758860
3-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-3-yl]butanoic acid
CID 81048188
1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidine-2-carboxylic acid
CID 63758170
1-(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)-N-methylpiperidine-3-carboxamide
CID 103194427
1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)piperidine-3-carboxylic acid
CID 63756447
1,3-dimethyl-5-(2-methyl-1,4-oxazepan-4-yl)pyrazole-4-carbonitrile
CID 63752329
5-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-dimethylpyrazole-4-carbonitrile
CID 106835917
1,3-dimethyl-5-(4-propan-2-ylpiperidin-1-yl)pyrazole-4-carbonitrile
CID 103495549
methyl 2-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]acetate
CID 63756668
1-(4-bromo-2-cyanophenyl)-N-methylpiperidine-3-carboxamide
CID 103721853
5-(3,5-dimethylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile
CID 63758006

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyano-1,3-dimethylpyrazol-5-yl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(4-cyano-1,3-dimethylpyrazol-5-yl)-N-methylpiperidine-3-carboxamide (CID 103195546) is 1-(4-cyano-1,3-dimethylpyrazol-5-yl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(4-cyano-1,3-dimethylpyrazol-5-yl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(4-cyano-1,3-dimethylpyrazol-5-yl)-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(c2c(C#N)c(C)nn2C)C1.
What is the InChIKey of 1-(4-cyano-1,3-dimethylpyrazol-5-yl)-N-methylpiperidine-3-carboxamide?
The InChIKey is YAYDICHIQTXQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-9-11(7-14)13(17(3)16-9)18-6-4-5-10(8-18)12(19)15-2/h10H,4-6,8H2,1-3H3,(H,15,19).
What are the key properties of 1-(4-cyano-1,3-dimethylpyrazol-5-yl)-N-methylpiperidine-3-carboxamide?
1-(4-cyano-1,3-dimethylpyrazol-5-yl)-N-methylpiperidine-3-carboxamide has a molecular weight of 261.33 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyano-1,3-dimethylpyrazol-5-yl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103195546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).