4-amino-3-ethyl-1-methyl-N-(2-phenylcyclopropyl)pyrazole-5-carboxamide

C16H20N4O — CID 66118023

IUPAC4-amino-3-ethyl-1-methyl-N-(2-phenylcyclopropyl)pyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NC2CC2c2ccccc2)c1N
InChIInChI=1S/C16H20N4O/c1-3-12-14(17)15(20(2)19-12)16(21)18-13-9-11(13)10-7-5-4-6-8-10/h4-8,11,13H,3,9,17H2,1-2H3,(H,18,21)
InChIKeyJXQBHCFPSOJNNL-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.85
Rot. Bonds4

About 4-amino-3-ethyl-1-methyl-N-(2-phenylcyclopropyl)pyrazole-5-carboxamide

4-amino-3-ethyl-1-methyl-N-(2-phenylcyclopropyl)pyrazole-5-carboxamide (PubChem CID 66118023) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-amino-3-ethyl-1-methyl-N-(2-phenylcyclopropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-ethyl-1-methyl-N-(2-phenylcyclopropyl)pyrazole-5-carboxamide
PubChem CID66118023
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name4-amino-3-ethyl-1-methyl-N-(2-phenylcyclopropyl)pyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NC2CC2c2ccccc2)c1N
InChIInChI=1S/C16H20N4O/c1-3-12-14(17)15(20(2)19-12)16(21)18-13-9-11(13)10-7-5-4-6-8-10/h4-8,11,13H,3,9,17H2,1-2H3,(H,18,21)
InChIKeyJXQBHCFPSOJNNL-UHFFFAOYSA-N
XLogP1.85
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-ethyl-1-methyl-N-(2-phenylcyclopropyl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-3-ethyl-1-methyl-N-(2-phenylcyclopropyl)pyrazole-5-carboxamide (CID 66118023) is 4-amino-3-ethyl-1-methyl-N-(2-phenylcyclopropyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-ethyl-1-methyl-N-(2-phenylcyclopropyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-3-ethyl-1-methyl-N-(2-phenylcyclopropyl)pyrazole-5-carboxamide is CCc1nn(C)c(C(=O)NC2CC2c2ccccc2)c1N.
What is the InChIKey of 4-amino-3-ethyl-1-methyl-N-(2-phenylcyclopropyl)pyrazole-5-carboxamide?
The InChIKey is JXQBHCFPSOJNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-3-12-14(17)15(20(2)19-12)16(21)18-13-9-11(13)10-7-5-4-6-8-10/h4-8,11,13H,3,9,17H2,1-2H3,(H,18,21).
What are the key properties of 4-amino-3-ethyl-1-methyl-N-(2-phenylcyclopropyl)pyrazole-5-carboxamide?
4-amino-3-ethyl-1-methyl-N-(2-phenylcyclopropyl)pyrazole-5-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethyl-1-methyl-N-(2-phenylcyclopropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 66118023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).