N-[(3-hydroxycyclopentyl)methyl]-2-pyrazol-1-ylacetamide

C11H17N3O2 — CID 103279890

IUPACN-[(3-hydroxycyclopentyl)methyl]-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)NCC1CCC(O)C1
InChIInChI=1S/C11H17N3O2/c15-10-3-2-9(6-10)7-12-11(16)8-14-5-1-4-13-14/h1,4-5,9-10,15H,2-3,6-8H2,(H,12,16)
InChIKeyBZLJNAPLQPPVEF-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.16
Rot. Bonds4

About N-[(3-hydroxycyclopentyl)methyl]-2-pyrazol-1-ylacetamide

N-[(3-hydroxycyclopentyl)methyl]-2-pyrazol-1-ylacetamide (PubChem CID 103279890) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-[(3-hydroxycyclopentyl)methyl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclopentyl)methyl]-2-pyrazol-1-ylacetamide
PubChem CID103279890
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-[(3-hydroxycyclopentyl)methyl]-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)NCC1CCC(O)C1
InChIInChI=1S/C11H17N3O2/c15-10-3-2-9(6-10)7-12-11(16)8-14-5-1-4-13-14/h1,4-5,9-10,15H,2-3,6-8H2,(H,12,16)
InChIKeyBZLJNAPLQPPVEF-UHFFFAOYSA-N
XLogP0.16
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-2-pyrazol-1-ylacetamide (CID 103279890) is N-[(3-hydroxycyclopentyl)methyl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-[(3-hydroxycyclopentyl)methyl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-[(3-hydroxycyclopentyl)methyl]-2-pyrazol-1-ylacetamide is O=C(Cn1cccn1)NCC1CCC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclopentyl)methyl]-2-pyrazol-1-ylacetamide?
The InChIKey is BZLJNAPLQPPVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c15-10-3-2-9(6-10)7-12-11(16)8-14-5-1-4-13-14/h1,4-5,9-10,15H,2-3,6-8H2,(H,12,16).
What are the key properties of N-[(3-hydroxycyclopentyl)methyl]-2-pyrazol-1-ylacetamide?
N-[(3-hydroxycyclopentyl)methyl]-2-pyrazol-1-ylacetamide has a molecular weight of 223.28 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclopentyl)methyl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 103279890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).