3-ethyl-1-methyl-N-(3-methylpyrrolidin-3-yl)pyrazole-4-carboxamide

C12H20N4O — CID 107422800

IUPAC3-ethyl-1-methyl-N-(3-methylpyrrolidin-3-yl)pyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)NC1(C)CCNC1
InChIInChI=1S/C12H20N4O/c1-4-10-9(7-16(3)15-10)11(17)14-12(2)5-6-13-8-12/h7,13H,4-6,8H2,1-3H3,(H,14,17)
InChIKeyZEGPJVQYFRNHOP-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.46
Rot. Bonds3

About 3-ethyl-1-methyl-N-(3-methylpyrrolidin-3-yl)pyrazole-4-carboxamide

3-ethyl-1-methyl-N-(3-methylpyrrolidin-3-yl)pyrazole-4-carboxamide (PubChem CID 107422800) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-ethyl-1-methyl-N-(3-methylpyrrolidin-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-1-methyl-N-(3-methylpyrrolidin-3-yl)pyrazole-4-carboxamide
PubChem CID107422800
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-ethyl-1-methyl-N-(3-methylpyrrolidin-3-yl)pyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)NC1(C)CCNC1
InChIInChI=1S/C12H20N4O/c1-4-10-9(7-16(3)15-10)11(17)14-12(2)5-6-13-8-12/h7,13H,4-6,8H2,1-3H3,(H,14,17)
InChIKeyZEGPJVQYFRNHOP-UHFFFAOYSA-N
XLogP0.46
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyanocyclopentyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 113347472
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
2-methyl-N-(3-methylpyrrolidin-3-yl)pyrazole-3-carboxamide
CID 107423053
5-ethyl-N-(3-methylpyrrolidin-3-yl)furan-2-carboxamide
CID 107422841
(3,3-dimethylpiperazin-1-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 103894192
(3-ethyl-1-methylpyrazol-4-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 102811050
N-(1-carbamothioyl-4-methylcyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810478
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
3-ethyl-6-methyl-N-(4-methylpiperidin-4-yl)pyridazine-4-carboxamide
CID 114696597
1,3,5-trimethyl-N-(3-methylpyrrolidin-3-yl)pyrazole-4-carboxamide
CID 107422588

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-N-(3-methylpyrrolidin-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 3-ethyl-1-methyl-N-(3-methylpyrrolidin-3-yl)pyrazole-4-carboxamide (CID 107422800) is 3-ethyl-1-methyl-N-(3-methylpyrrolidin-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-1-methyl-N-(3-methylpyrrolidin-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 3-ethyl-1-methyl-N-(3-methylpyrrolidin-3-yl)pyrazole-4-carboxamide is CCc1nn(C)cc1C(=O)NC1(C)CCNC1.
What is the InChIKey of 3-ethyl-1-methyl-N-(3-methylpyrrolidin-3-yl)pyrazole-4-carboxamide?
The InChIKey is ZEGPJVQYFRNHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-4-10-9(7-16(3)15-10)11(17)14-12(2)5-6-13-8-12/h7,13H,4-6,8H2,1-3H3,(H,14,17).
What are the key properties of 3-ethyl-1-methyl-N-(3-methylpyrrolidin-3-yl)pyrazole-4-carboxamide?
3-ethyl-1-methyl-N-(3-methylpyrrolidin-3-yl)pyrazole-4-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-N-(3-methylpyrrolidin-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 107422800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).