N-(1-cyanocyclopentyl)-3-ethyl-1-methylpyrazole-4-carboxamide

C13H18N4O — CID 113347472

IUPACN-(1-cyanocyclopentyl)-3-ethyl-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)NC1(C#N)CCCC1
InChIInChI=1S/C13H18N4O/c1-3-11-10(8-17(2)16-11)12(18)15-13(9-14)6-4-5-7-13/h8H,3-7H2,1-2H3,(H,15,18)
InChIKeyASGOLWPMBCKVSU-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.55
Rot. Bonds3

About N-(1-cyanocyclopentyl)-3-ethyl-1-methylpyrazole-4-carboxamide

N-(1-cyanocyclopentyl)-3-ethyl-1-methylpyrazole-4-carboxamide (PubChem CID 113347472) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-3-ethyl-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-3-ethyl-1-methylpyrazole-4-carboxamide
PubChem CID113347472
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-(1-cyanocyclopentyl)-3-ethyl-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)NC1(C#N)CCCC1
InChIInChI=1S/C13H18N4O/c1-3-11-10(8-17(2)16-11)12(18)15-13(9-14)6-4-5-7-13/h8H,3-7H2,1-2H3,(H,15,18)
InChIKeyASGOLWPMBCKVSU-UHFFFAOYSA-N
XLogP1.55
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyano-4-methylcyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810444
N-[1-(aminomethyl)cyclobutyl]-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102811436
2-[1-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]cyclobutyl]acetic acid
CID 102810261
N-[[1-(aminomethyl)cyclopentyl]methyl]-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102811424
1-[[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 102810291
N-(3-cyanopentan-3-yl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810446
N-(1-cyanobutyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 103893927
N-(1-carbamothioyl-4-methylcyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810478
N-(2-chloroethyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810778
(2S)-3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833163
N-(1-cyanocyclopentyl)-2-methylfuran-3-carboxamide
CID 60704628
3-ethyl-N-(2-hydroxy-3-methylbutyl)-1-methylpyrazole-4-carboxamide
CID 103894225

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-3-ethyl-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(1-cyanocyclopentyl)-3-ethyl-1-methylpyrazole-4-carboxamide (CID 113347472) is N-(1-cyanocyclopentyl)-3-ethyl-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-3-ethyl-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-3-ethyl-1-methylpyrazole-4-carboxamide is CCc1nn(C)cc1C(=O)NC1(C#N)CCCC1.
What is the InChIKey of N-(1-cyanocyclopentyl)-3-ethyl-1-methylpyrazole-4-carboxamide?
The InChIKey is ASGOLWPMBCKVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-3-11-10(8-17(2)16-11)12(18)15-13(9-14)6-4-5-7-13/h8H,3-7H2,1-2H3,(H,15,18).
What are the key properties of N-(1-cyanocyclopentyl)-3-ethyl-1-methylpyrazole-4-carboxamide?
N-(1-cyanocyclopentyl)-3-ethyl-1-methylpyrazole-4-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-3-ethyl-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 113347472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).