N-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methyl]-2-ethoxyacetamide

C16H25N3O2 — CID 71808666

IUPACN-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NCc1cc(C2CC2)n(C2CCCC2)n1
InChIInChI=1S/C16H25N3O2/c1-2-21-11-16(20)17-10-13-9-15(12-7-8-12)19(18-13)14-5-3-4-6-14/h9,12,14H,2-8,10-11H2,1H3,(H,17,20)
InChIKeyABWQQNNWXAJUCH-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.53
Rot. Bonds7

About N-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methyl]-2-ethoxyacetamide

N-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methyl]-2-ethoxyacetamide (PubChem CID 71808666) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methyl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methyl]-2-ethoxyacetamide
PubChem CID71808666
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NCc1cc(C2CC2)n(C2CCCC2)n1
InChIInChI=1S/C16H25N3O2/c1-2-21-11-16(20)17-10-13-9-15(12-7-8-12)19(18-13)14-5-3-4-6-14/h9,12,14H,2-8,10-11H2,1H3,(H,17,20)
InChIKeyABWQQNNWXAJUCH-UHFFFAOYSA-N
XLogP2.53
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methyl]-2-ethoxyacetamide?
The IUPAC name of N-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methyl]-2-ethoxyacetamide (CID 71808666) is N-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methyl]-2-ethoxyacetamide.
What is the SMILES notation for N-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methyl]-2-ethoxyacetamide?
The canonical SMILES for N-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methyl]-2-ethoxyacetamide is CCOCC(=O)NCc1cc(C2CC2)n(C2CCCC2)n1.
What is the InChIKey of N-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methyl]-2-ethoxyacetamide?
The InChIKey is ABWQQNNWXAJUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-2-21-11-16(20)17-10-13-9-15(12-7-8-12)19(18-13)14-5-3-4-6-14/h9,12,14H,2-8,10-11H2,1H3,(H,17,20).
What are the key properties of N-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methyl]-2-ethoxyacetamide?
N-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methyl]-2-ethoxyacetamide has a molecular weight of 291.40 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methyl]-2-ethoxyacetamide is sourced from PubChem (CID 71808666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).