3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide

C19H23N3O2 — CID 111661556

IUPAC3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide
SMILESCc1cc(C)n(Cc2cccc(C(=O)N[C@@H]3C=C[C@H](CO)C3)c2)n1
InChIInChI=1S/C19H23N3O2/c1-13-8-14(2)22(21-13)11-15-4-3-5-17(9-15)19(24)20-18-7-6-16(10-18)12-23/h3-9,16,18,23H,10-12H2,1-2H3,(H,20,24)/t16-,18+/m0/s1
InChIKeyUWBCWBYAXXYFJG-FUHWJXTLSA-N
MW325.41 g/mol
LogP2.22
Rot. Bonds5

About 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide

3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide (PubChem CID 111661556) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide.

Molecular Properties

Compound Name3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide
PubChem CID111661556
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide
SMILESCc1cc(C)n(Cc2cccc(C(=O)N[C@@H]3C=C[C@H](CO)C3)c2)n1
InChIInChI=1S/C19H23N3O2/c1-13-8-14(2)22(21-13)11-15-4-3-5-17(9-15)19(24)20-18-7-6-16(10-18)12-23/h3-9,16,18,23H,10-12H2,1-2H3,(H,20,24)/t16-,18+/m0/s1
InChIKeyUWBCWBYAXXYFJG-FUHWJXTLSA-N
XLogP2.22
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 119456634
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451087
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[(2S)-oxan-2-yl]methyl]benzamide
CID 95595180
N'-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-2-hydroxybenzohydrazide
CID 51128117
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 111331403
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
CID 126769620
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 51098490
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 111696768
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide
CID 51128124
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(5-methyl-2-pyridinyl)benzamide
CID 35324318
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1,2-oxazol-3-yl)benzamide
CID 35324427
(4-aminopiperidin-1-yl)-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone;hydrochloride
CID 119374195

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide?
The IUPAC name of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide (CID 111661556) is 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide.
What is the SMILES notation for 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide?
The canonical SMILES for 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide is Cc1cc(C)n(Cc2cccc(C(=O)N[C@@H]3C=C[C@H](CO)C3)c2)n1.
What is the InChIKey of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide?
The InChIKey is UWBCWBYAXXYFJG-FUHWJXTLSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13-8-14(2)22(21-13)11-15-4-3-5-17(9-15)19(24)20-18-7-6-16(10-18)12-23/h3-9,16,18,23H,10-12H2,1-2H3,(H,20,24)/t16-,18+/m0/s1.
What are the key properties of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide?
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide has a molecular weight of 325.41 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide is sourced from PubChem (CID 111661556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).