N-[1-(cyanomethyl)piperidin-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide

C14H21N5O — CID 63627481

IUPACN-[1-(cyanomethyl)piperidin-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NC1CCN(CC#N)CC1
InChIInChI=1S/C14H21N5O/c1-10-13(11(2)18(3)17-10)14(20)16-12-4-7-19(8-5-12)9-6-15/h12H,4-5,7-9H2,1-3H3,(H,16,20)
InChIKeyZEDYWWJLZXMREC-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.75
Rot. Bonds3

About N-[1-(cyanomethyl)piperidin-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide

N-[1-(cyanomethyl)piperidin-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide (PubChem CID 63627481) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is N-[1-(cyanomethyl)piperidin-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(cyanomethyl)piperidin-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide
PubChem CID63627481
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC NameN-[1-(cyanomethyl)piperidin-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NC1CCN(CC#N)CC1
InChIInChI=1S/C14H21N5O/c1-10-13(11(2)18(3)17-10)14(20)16-12-4-7-19(8-5-12)9-6-15/h12H,4-5,7-9H2,1-3H3,(H,16,20)
InChIKeyZEDYWWJLZXMREC-UHFFFAOYSA-N
XLogP0.75
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N-[1-(cyanomethyl)piperidin-4-yl]-2,6-dihydroxybenzamide
CID 103890464
N-[1-(cyanomethyl)piperidin-4-yl]-3,5-dimethylbenzamide
CID 63625203
N-(4-tert-butylcyclohexyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 19575849
1,3,5-trimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-4-carboxamide
CID 4866509
N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,5-trimethylpyrazole-4-carboxamide;hydrochloride
CID 119458545
5-chloro-1,3-dimethyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 32529148
N-[1-(cyanomethyl)piperidin-4-yl]-3-methylpyridine-2-carboxamide
CID 63627666
1-[1-(cyanomethyl)piperidin-4-yl]-3-methylurea
CID 78948240
3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63043268
N-(4-cyanobutyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 63297031
N-[1-(cyanomethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
CID 113233064
1,3,5-trimethyl-N-(6-oxopiperidin-3-yl)pyrazole-4-carboxamide
CID 62896612

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyanomethyl)piperidin-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(cyanomethyl)piperidin-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide (CID 63627481) is N-[1-(cyanomethyl)piperidin-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(cyanomethyl)piperidin-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(cyanomethyl)piperidin-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)NC1CCN(CC#N)CC1.
What is the InChIKey of N-[1-(cyanomethyl)piperidin-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide?
The InChIKey is ZEDYWWJLZXMREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-10-13(11(2)18(3)17-10)14(20)16-12-4-7-19(8-5-12)9-6-15/h12H,4-5,7-9H2,1-3H3,(H,16,20).
What are the key properties of N-[1-(cyanomethyl)piperidin-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide?
N-[1-(cyanomethyl)piperidin-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide has a molecular weight of 275.36 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyanomethyl)piperidin-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 63627481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).