4-amino-5-ethyl-N-(2-methylprop-2-enyl)-1H-pyrazole-3-carboxamide

C10H16N4O — CID 114615036

IUPAC4-amino-5-ethyl-N-(2-methylprop-2-enyl)-1H-pyrazole-3-carboxamide
SMILESC=C(C)CNC(=O)c1n[nH]c(CC)c1N
InChIInChI=1S/C10H16N4O/c1-4-7-8(11)9(14-13-7)10(15)12-5-6(2)3/h2,4-5,11H2,1,3H3,(H,12,15)(H,13,14)
InChIKeyRPNYTMRSABTDHC-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.86
Rot. Bonds4

About 4-amino-5-ethyl-N-(2-methylprop-2-enyl)-1H-pyrazole-3-carboxamide

4-amino-5-ethyl-N-(2-methylprop-2-enyl)-1H-pyrazole-3-carboxamide (PubChem CID 114615036) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-amino-5-ethyl-N-(2-methylprop-2-enyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-ethyl-N-(2-methylprop-2-enyl)-1H-pyrazole-3-carboxamide
PubChem CID114615036
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name4-amino-5-ethyl-N-(2-methylprop-2-enyl)-1H-pyrazole-3-carboxamide
SMILESC=C(C)CNC(=O)c1n[nH]c(CC)c1N
InChIInChI=1S/C10H16N4O/c1-4-7-8(11)9(14-13-7)10(15)12-5-6(2)3/h2,4-5,11H2,1,3H3,(H,12,15)(H,13,14)
InChIKeyRPNYTMRSABTDHC-UHFFFAOYSA-N
XLogP0.86
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethyl-N-(2-methylprop-2-enyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-ethyl-N-(2-methylprop-2-enyl)-1H-pyrazole-3-carboxamide (CID 114615036) is 4-amino-5-ethyl-N-(2-methylprop-2-enyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-ethyl-N-(2-methylprop-2-enyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-ethyl-N-(2-methylprop-2-enyl)-1H-pyrazole-3-carboxamide is C=C(C)CNC(=O)c1n[nH]c(CC)c1N.
What is the InChIKey of 4-amino-5-ethyl-N-(2-methylprop-2-enyl)-1H-pyrazole-3-carboxamide?
The InChIKey is RPNYTMRSABTDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-4-7-8(11)9(14-13-7)10(15)12-5-6(2)3/h2,4-5,11H2,1,3H3,(H,12,15)(H,13,14).
What are the key properties of 4-amino-5-ethyl-N-(2-methylprop-2-enyl)-1H-pyrazole-3-carboxamide?
4-amino-5-ethyl-N-(2-methylprop-2-enyl)-1H-pyrazole-3-carboxamide has a molecular weight of 208.26 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethyl-N-(2-methylprop-2-enyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 114615036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).