4-amino-1-ethyl-N-(2-methylprop-2-enyl)pyrazole-3-carboxamide

C10H16N4O — CID 114615025

IUPAC4-amino-1-ethyl-N-(2-methylprop-2-enyl)pyrazole-3-carboxamide
SMILESC=C(C)CNC(=O)c1nn(CC)cc1N
InChIInChI=1S/C10H16N4O/c1-4-14-6-8(11)9(13-14)10(15)12-5-7(2)3/h6H,2,4-5,11H2,1,3H3,(H,12,15)
InChIKeySCBJSWBRKDYAHJ-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.79
Rot. Bonds4

About 4-amino-1-ethyl-N-(2-methylprop-2-enyl)pyrazole-3-carboxamide

4-amino-1-ethyl-N-(2-methylprop-2-enyl)pyrazole-3-carboxamide (PubChem CID 114615025) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-(2-methylprop-2-enyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-(2-methylprop-2-enyl)pyrazole-3-carboxamide
PubChem CID114615025
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name4-amino-1-ethyl-N-(2-methylprop-2-enyl)pyrazole-3-carboxamide
SMILESC=C(C)CNC(=O)c1nn(CC)cc1N
InChIInChI=1S/C10H16N4O/c1-4-14-6-8(11)9(13-14)10(15)12-5-7(2)3/h6H,2,4-5,11H2,1,3H3,(H,12,15)
InChIKeySCBJSWBRKDYAHJ-UHFFFAOYSA-N
XLogP0.79
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.79
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

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CID 65357738
4-amino-1-ethyl-N-[(4-ethylphenyl)methyl]pyrazole-3-carboxamide
CID 106899160
4-amino-1-ethyl-N-[2-(ethylsulfamoyl)ethyl]pyrazole-3-carboxamide
CID 106332871
4-amino-1-ethyl-N-(2,2,3-trimethylbutyl)pyrazole-3-carboxamide
CID 114098963
4-amino-1-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]pyrazole-3-carboxamide
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4-amino-1-ethyl-N-(2-methylcyclopropyl)pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-(2-methylprop-2-enyl)pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-(2-methylprop-2-enyl)pyrazole-3-carboxamide (CID 114615025) is 4-amino-1-ethyl-N-(2-methylprop-2-enyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-(2-methylprop-2-enyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-(2-methylprop-2-enyl)pyrazole-3-carboxamide is C=C(C)CNC(=O)c1nn(CC)cc1N.
What is the InChIKey of 4-amino-1-ethyl-N-(2-methylprop-2-enyl)pyrazole-3-carboxamide?
The InChIKey is SCBJSWBRKDYAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-4-14-6-8(11)9(13-14)10(15)12-5-7(2)3/h6H,2,4-5,11H2,1,3H3,(H,12,15).
What are the key properties of 4-amino-1-ethyl-N-(2-methylprop-2-enyl)pyrazole-3-carboxamide?
4-amino-1-ethyl-N-(2-methylprop-2-enyl)pyrazole-3-carboxamide has a molecular weight of 208.26 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-(2-methylprop-2-enyl)pyrazole-3-carboxamide is sourced from PubChem (CID 114615025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).