2-(1-hydroxycyclopentyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]acetamide

C18H23N3O2 — CID 111540891

IUPAC2-(1-hydroxycyclopentyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]acetamide
SMILESCC(NC(=O)CC1(O)CCCC1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H23N3O2/c1-14(20-17(22)13-18(23)9-2-3-10-18)15-5-7-16(8-6-15)21-12-4-11-19-21/h4-8,11-12,14,23H,2-3,9-10,13H2,1H3,(H,20,22)
InChIKeyPBVZBFLVSOQQLS-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.74
Rot. Bonds5

About 2-(1-hydroxycyclopentyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]acetamide

2-(1-hydroxycyclopentyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]acetamide (PubChem CID 111540891) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-(1-hydroxycyclopentyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-hydroxycyclopentyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]acetamide
PubChem CID111540891
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-(1-hydroxycyclopentyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]acetamide
SMILESCC(NC(=O)CC1(O)CCCC1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H23N3O2/c1-14(20-17(22)13-18(23)9-2-3-10-18)15-5-7-16(8-6-15)21-12-4-11-19-21/h4-8,11-12,14,23H,2-3,9-10,13H2,1H3,(H,20,22)
InChIKeyPBVZBFLVSOQQLS-UHFFFAOYSA-N
XLogP2.74
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 95990109
4-amino-3-methoxy-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;hydrochloride
CID 120593675
4-(methoxymethyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120636937
4-(aminomethyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120935805
3-amino-2-methyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide
CID 120501837
N-[1-(3,4-difluorophenyl)ethyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111432741
N-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119338096
N-propan-2-yl-2-[(4-pyrazol-1-ylphenyl)methylamino]acetamide
CID 43232183
1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 111509387
(2S,4S)-2-methyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120636935
N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 118723776
(2R,3R)-4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide
CID 70329293

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclopentyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]acetamide?
The IUPAC name of 2-(1-hydroxycyclopentyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]acetamide (CID 111540891) is 2-(1-hydroxycyclopentyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(1-hydroxycyclopentyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(1-hydroxycyclopentyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]acetamide is CC(NC(=O)CC1(O)CCCC1)c1ccc(-n2cccn2)cc1.
What is the InChIKey of 2-(1-hydroxycyclopentyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]acetamide?
The InChIKey is PBVZBFLVSOQQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-14(20-17(22)13-18(23)9-2-3-10-18)15-5-7-16(8-6-15)21-12-4-11-19-21/h4-8,11-12,14,23H,2-3,9-10,13H2,1H3,(H,20,22).
What are the key properties of 2-(1-hydroxycyclopentyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]acetamide?
2-(1-hydroxycyclopentyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]acetamide has a molecular weight of 313.40 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclopentyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]acetamide is sourced from PubChem (CID 111540891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).