N-(3-cyanopentan-3-yl)-3-ethyl-1-methylpyrazole-4-carboxamide

C13H20N4O — CID 102810446

IUPACN-(3-cyanopentan-3-yl)-3-ethyl-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)NC(C#N)(CC)CC
InChIInChI=1S/C13H20N4O/c1-5-11-10(8-17(4)16-11)12(18)15-13(6-2,7-3)9-14/h8H,5-7H2,1-4H3,(H,15,18)
InChIKeyUQVDPUHLECDMLA-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.79
Rot. Bonds5

About N-(3-cyanopentan-3-yl)-3-ethyl-1-methylpyrazole-4-carboxamide

N-(3-cyanopentan-3-yl)-3-ethyl-1-methylpyrazole-4-carboxamide (PubChem CID 102810446) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(3-cyanopentan-3-yl)-3-ethyl-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyanopentan-3-yl)-3-ethyl-1-methylpyrazole-4-carboxamide
PubChem CID102810446
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-(3-cyanopentan-3-yl)-3-ethyl-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)NC(C#N)(CC)CC
InChIInChI=1S/C13H20N4O/c1-5-11-10(8-17(4)16-11)12(18)15-13(6-2,7-3)9-14/h8H,5-7H2,1-4H3,(H,15,18)
InChIKeyUQVDPUHLECDMLA-UHFFFAOYSA-N
XLogP1.79
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid
CID 102810141
N-(3-cyanopentan-3-yl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104625310
N-(1,3-dibromo-2-methylpropan-2-yl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102811344
3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 102810224
N-(1-cyanobutyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 103893927
N-(1-cyanocyclopentyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 113347472
N-(2-chloroethyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810778
N-(5-bromo-2-cyanophenyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 107798325
N-(3-cyanopentan-3-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 55136511
N-but-3-yn-2-yl-3-ethyl-1-methylpyrazole-4-carboxamide
CID 104919693
N-(1-chloro-2-phenylpropan-2-yl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102811397
3-ethyl-N-[2-(ethylamino)ethyl]-1-methylpyrazole-4-carboxamide
CID 102810944

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanopentan-3-yl)-3-ethyl-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(3-cyanopentan-3-yl)-3-ethyl-1-methylpyrazole-4-carboxamide (CID 102810446) is N-(3-cyanopentan-3-yl)-3-ethyl-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-cyanopentan-3-yl)-3-ethyl-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-cyanopentan-3-yl)-3-ethyl-1-methylpyrazole-4-carboxamide is CCc1nn(C)cc1C(=O)NC(C#N)(CC)CC.
What is the InChIKey of N-(3-cyanopentan-3-yl)-3-ethyl-1-methylpyrazole-4-carboxamide?
The InChIKey is UQVDPUHLECDMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-5-11-10(8-17(4)16-11)12(18)15-13(6-2,7-3)9-14/h8H,5-7H2,1-4H3,(H,15,18).
What are the key properties of N-(3-cyanopentan-3-yl)-3-ethyl-1-methylpyrazole-4-carboxamide?
N-(3-cyanopentan-3-yl)-3-ethyl-1-methylpyrazole-4-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanopentan-3-yl)-3-ethyl-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 102810446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).