N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-ethylacetamide

C12H19N3O — CID 55028122

IUPACN-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)Cn1nc(C)cc1C)C1CC1
InChIInChI=1S/C12H19N3O/c1-4-14(11-5-6-11)12(16)8-15-10(3)7-9(2)13-15/h7,11H,4-6,8H2,1-3H3
InChIKeyZGSXMTFBBTUSCV-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.51
Rot. Bonds4

About N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-ethylacetamide

N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-ethylacetamide (PubChem CID 55028122) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-ethylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-ethylacetamide
PubChem CID55028122
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)Cn1nc(C)cc1C)C1CC1
InChIInChI=1S/C12H19N3O/c1-4-14(11-5-6-11)12(16)8-15-10(3)7-9(2)13-15/h7,11H,4-6,8H2,1-3H3
InChIKeyZGSXMTFBBTUSCV-UHFFFAOYSA-N
XLogP1.51
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-ethylacetamide?
The IUPAC name of N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-ethylacetamide (CID 55028122) is N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-ethylacetamide.
What is the SMILES notation for N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-ethylacetamide?
The canonical SMILES for N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-ethylacetamide is CCN(C(=O)Cn1nc(C)cc1C)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-ethylacetamide?
The InChIKey is ZGSXMTFBBTUSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-4-14(11-5-6-11)12(16)8-15-10(3)7-9(2)13-15/h7,11H,4-6,8H2,1-3H3.
What are the key properties of N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-ethylacetamide?
N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-ethylacetamide has a molecular weight of 221.30 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-ethylacetamide is sourced from PubChem (CID 55028122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).