N-(2-hydroxyethyl)-2-[4-[(3-methylcyclopentyl)amino]pyrazol-1-yl]acetamide

C13H22N4O2 — CID 110017089

IUPACN-(2-hydroxyethyl)-2-[4-[(3-methylcyclopentyl)amino]pyrazol-1-yl]acetamide
SMILESCC1CCC(Nc2cnn(CC(=O)NCCO)c2)C1
InChIInChI=1S/C13H22N4O2/c1-10-2-3-11(6-10)16-12-7-15-17(8-12)9-13(19)14-4-5-18/h7-8,10-11,16,18H,2-6,9H2,1H3,(H,14,19)
InChIKeyONKSXEGLCPHGPZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.59
Rot. Bonds6

About N-(2-hydroxyethyl)-2-[4-[(3-methylcyclopentyl)amino]pyrazol-1-yl]acetamide

N-(2-hydroxyethyl)-2-[4-[(3-methylcyclopentyl)amino]pyrazol-1-yl]acetamide (PubChem CID 110017089) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[4-[(3-methylcyclopentyl)amino]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[4-[(3-methylcyclopentyl)amino]pyrazol-1-yl]acetamide
PubChem CID110017089
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-(2-hydroxyethyl)-2-[4-[(3-methylcyclopentyl)amino]pyrazol-1-yl]acetamide
SMILESCC1CCC(Nc2cnn(CC(=O)NCCO)c2)C1
InChIInChI=1S/C13H22N4O2/c1-10-2-3-11(6-10)16-12-7-15-17(8-12)9-13(19)14-4-5-18/h7-8,10-11,16,18H,2-6,9H2,1H3,(H,14,19)
InChIKeyONKSXEGLCPHGPZ-UHFFFAOYSA-N
XLogP0.59
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[4-[(3-methylcyclopentyl)amino]pyrazol-1-yl]acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-[4-[(3-methylcyclopentyl)amino]pyrazol-1-yl]acetamide (CID 110017089) is N-(2-hydroxyethyl)-2-[4-[(3-methylcyclopentyl)amino]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-[4-[(3-methylcyclopentyl)amino]pyrazol-1-yl]acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-[4-[(3-methylcyclopentyl)amino]pyrazol-1-yl]acetamide is CC1CCC(Nc2cnn(CC(=O)NCCO)c2)C1.
What is the InChIKey of N-(2-hydroxyethyl)-2-[4-[(3-methylcyclopentyl)amino]pyrazol-1-yl]acetamide?
The InChIKey is ONKSXEGLCPHGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-10-2-3-11(6-10)16-12-7-15-17(8-12)9-13(19)14-4-5-18/h7-8,10-11,16,18H,2-6,9H2,1H3,(H,14,19).
What are the key properties of N-(2-hydroxyethyl)-2-[4-[(3-methylcyclopentyl)amino]pyrazol-1-yl]acetamide?
N-(2-hydroxyethyl)-2-[4-[(3-methylcyclopentyl)amino]pyrazol-1-yl]acetamide has a molecular weight of 266.34 g/mol, XLogP of 0.59, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-[4-[(3-methylcyclopentyl)amino]pyrazol-1-yl]acetamide is sourced from PubChem (CID 110017089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).