2-(4-aminopyrazol-1-yl)-N-cyclopropyl-N-propylacetamide

C11H18N4O — CID 43445497

IUPAC2-(4-aminopyrazol-1-yl)-N-cyclopropyl-N-propylacetamide
SMILESCCCN(C(=O)Cn1cc(N)cn1)C1CC1
InChIInChI=1S/C11H18N4O/c1-2-5-15(10-3-4-10)11(16)8-14-7-9(12)6-13-14/h6-7,10H,2-5,8,12H2,1H3
InChIKeyASPLYUQFOAJPNI-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.87
Rot. Bonds5

About 2-(4-aminopyrazol-1-yl)-N-cyclopropyl-N-propylacetamide

2-(4-aminopyrazol-1-yl)-N-cyclopropyl-N-propylacetamide (PubChem CID 43445497) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-N-cyclopropyl-N-propylacetamide.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-N-cyclopropyl-N-propylacetamide
PubChem CID43445497
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-(4-aminopyrazol-1-yl)-N-cyclopropyl-N-propylacetamide
SMILESCCCN(C(=O)Cn1cc(N)cn1)C1CC1
InChIInChI=1S/C11H18N4O/c1-2-5-15(10-3-4-10)11(16)8-14-7-9(12)6-13-14/h6-7,10H,2-5,8,12H2,1H3
InChIKeyASPLYUQFOAJPNI-UHFFFAOYSA-N
XLogP0.87
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.87
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-cyclopropyl-N-propylacetamide?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-N-cyclopropyl-N-propylacetamide (CID 43445497) is 2-(4-aminopyrazol-1-yl)-N-cyclopropyl-N-propylacetamide.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-N-cyclopropyl-N-propylacetamide?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-N-cyclopropyl-N-propylacetamide is CCCN(C(=O)Cn1cc(N)cn1)C1CC1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-N-cyclopropyl-N-propylacetamide?
The InChIKey is ASPLYUQFOAJPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-2-5-15(10-3-4-10)11(16)8-14-7-9(12)6-13-14/h6-7,10H,2-5,8,12H2,1H3.
What are the key properties of 2-(4-aminopyrazol-1-yl)-N-cyclopropyl-N-propylacetamide?
2-(4-aminopyrazol-1-yl)-N-cyclopropyl-N-propylacetamide has a molecular weight of 222.29 g/mol, XLogP of 0.87, 5 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-cyclopropyl-N-propylacetamide is sourced from PubChem (CID 43445497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).