2-(4-aminopyrazol-1-yl)-N-(4-ethylphenyl)-N-methylacetamide

C14H18N4O — CID 62001972

IUPAC2-(4-aminopyrazol-1-yl)-N-(4-ethylphenyl)-N-methylacetamide
SMILESCCc1ccc(N(C)C(=O)Cn2cc(N)cn2)cc1
InChIInChI=1S/C14H18N4O/c1-3-11-4-6-13(7-5-11)17(2)14(19)10-18-9-12(15)8-16-18/h4-9H,3,10,15H2,1-2H3
InChIKeyDRBNWZGEWGDMBD-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.69
Rot. Bonds4

About 2-(4-aminopyrazol-1-yl)-N-(4-ethylphenyl)-N-methylacetamide

2-(4-aminopyrazol-1-yl)-N-(4-ethylphenyl)-N-methylacetamide (PubChem CID 62001972) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-N-(4-ethylphenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-N-(4-ethylphenyl)-N-methylacetamide
PubChem CID62001972
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-(4-aminopyrazol-1-yl)-N-(4-ethylphenyl)-N-methylacetamide
SMILESCCc1ccc(N(C)C(=O)Cn2cc(N)cn2)cc1
InChIInChI=1S/C14H18N4O/c1-3-11-4-6-13(7-5-11)17(2)14(19)10-18-9-12(15)8-16-18/h4-9H,3,10,15H2,1-2H3
InChIKeyDRBNWZGEWGDMBD-UHFFFAOYSA-N
XLogP1.69
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)-N-(4-ethylphenyl)-N-methylacetamide?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-N-(4-ethylphenyl)-N-methylacetamide (CID 62001972) is 2-(4-aminopyrazol-1-yl)-N-(4-ethylphenyl)-N-methylacetamide.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-N-(4-ethylphenyl)-N-methylacetamide?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-N-(4-ethylphenyl)-N-methylacetamide is CCc1ccc(N(C)C(=O)Cn2cc(N)cn2)cc1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-N-(4-ethylphenyl)-N-methylacetamide?
The InChIKey is DRBNWZGEWGDMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-11-4-6-13(7-5-11)17(2)14(19)10-18-9-12(15)8-16-18/h4-9H,3,10,15H2,1-2H3.
What are the key properties of 2-(4-aminopyrazol-1-yl)-N-(4-ethylphenyl)-N-methylacetamide?
2-(4-aminopyrazol-1-yl)-N-(4-ethylphenyl)-N-methylacetamide has a molecular weight of 258.32 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrazol-1-yl)-N-(4-ethylphenyl)-N-methylacetamide is sourced from PubChem (CID 62001972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).