4-amino-N-(3-ethyl-1-methylpyrazol-4-yl)cyclopent-2-ene-1-carboxamide

C12H18N4O — CID 107463151

IUPAC4-amino-N-(3-ethyl-1-methylpyrazol-4-yl)cyclopent-2-ene-1-carboxamide
SMILESCCc1nn(C)cc1NC(=O)C1C=CC(N)C1
InChIInChI=1S/C12H18N4O/c1-3-10-11(7-16(2)15-10)14-12(17)8-4-5-9(13)6-8/h4-5,7-9H,3,6,13H2,1-2H3,(H,14,17)
InChIKeyYRYUEBVMXUEAGU-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.82
Rot. Bonds3

About 4-amino-N-(3-ethyl-1-methylpyrazol-4-yl)cyclopent-2-ene-1-carboxamide

4-amino-N-(3-ethyl-1-methylpyrazol-4-yl)cyclopent-2-ene-1-carboxamide (PubChem CID 107463151) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-amino-N-(3-ethyl-1-methylpyrazol-4-yl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-ethyl-1-methylpyrazol-4-yl)cyclopent-2-ene-1-carboxamide
PubChem CID107463151
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name4-amino-N-(3-ethyl-1-methylpyrazol-4-yl)cyclopent-2-ene-1-carboxamide
SMILESCCc1nn(C)cc1NC(=O)C1C=CC(N)C1
InChIInChI=1S/C12H18N4O/c1-3-10-11(7-16(2)15-10)14-12(17)8-4-5-9(13)6-8/h4-5,7-9H,3,6,13H2,1-2H3,(H,14,17)
InChIKeyYRYUEBVMXUEAGU-UHFFFAOYSA-N
XLogP0.82
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(1,3-dimethylpyrazol-4-yl)cyclopent-2-ene-1-carboxamide
CID 102805596
2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 107462239
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbutanamide
CID 107463044
N-(3-ethyl-1-methylpyrazol-4-yl)-6-methylpiperidine-2-carboxamide
CID 107463362
N-(3-ethyl-1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 103908575
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-sulfanylidenepropanamide
CID 107463267
(3-ethyl-1-methylpyrazol-4-yl)thiourea
CID 107462555
4-N-(3-ethyl-1-methylpyrazol-4-yl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 154781611
2-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)guanidine
CID 107463459
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-methylbutanamide
CID 107463141
4-amino-N-(2-propylphenyl)cyclopent-2-ene-1-carboxamide
CID 79210939
N-(3-ethyl-1-methylpyrazol-4-yl)-5-methylpyrazine-2-carboxamide
CID 138992151

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-ethyl-1-methylpyrazol-4-yl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(3-ethyl-1-methylpyrazol-4-yl)cyclopent-2-ene-1-carboxamide (CID 107463151) is 4-amino-N-(3-ethyl-1-methylpyrazol-4-yl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(3-ethyl-1-methylpyrazol-4-yl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(3-ethyl-1-methylpyrazol-4-yl)cyclopent-2-ene-1-carboxamide is CCc1nn(C)cc1NC(=O)C1C=CC(N)C1.
What is the InChIKey of 4-amino-N-(3-ethyl-1-methylpyrazol-4-yl)cyclopent-2-ene-1-carboxamide?
The InChIKey is YRYUEBVMXUEAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-3-10-11(7-16(2)15-10)14-12(17)8-4-5-9(13)6-8/h4-5,7-9H,3,6,13H2,1-2H3,(H,14,17).
What are the key properties of 4-amino-N-(3-ethyl-1-methylpyrazol-4-yl)cyclopent-2-ene-1-carboxamide?
4-amino-N-(3-ethyl-1-methylpyrazol-4-yl)cyclopent-2-ene-1-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-ethyl-1-methylpyrazol-4-yl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 107463151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).