5-chloro-4-hydroxy-2-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide

C15H18ClN3O2 — CID 167818894

IUPAC5-chloro-4-hydroxy-2-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide
SMILESCc1cc(O)c(Cl)cc1C(=O)NCCCc1cnn(C)c1
InChIInChI=1S/C15H18ClN3O2/c1-10-6-14(20)13(16)7-12(10)15(21)17-5-3-4-11-8-18-19(2)9-11/h6-9,20H,3-5H2,1-2H3,(H,17,21)
InChIKeyMJKJEKJKVOKOMG-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.45
Rot. Bonds5

About 5-chloro-4-hydroxy-2-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide

5-chloro-4-hydroxy-2-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide (PubChem CID 167818894) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 5-chloro-4-hydroxy-2-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide.

Molecular Properties

Compound Name5-chloro-4-hydroxy-2-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide
PubChem CID167818894
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name5-chloro-4-hydroxy-2-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide
SMILESCc1cc(O)c(Cl)cc1C(=O)NCCCc1cnn(C)c1
InChIInChI=1S/C15H18ClN3O2/c1-10-6-14(20)13(16)7-12(10)15(21)17-5-3-4-11-8-18-19(2)9-11/h6-9,20H,3-5H2,1-2H3,(H,17,21)
InChIKeyMJKJEKJKVOKOMG-UHFFFAOYSA-N
XLogP2.45
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 112731782
3-chloro-4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 47291440
2-amino-5-chloro-3-fluoro-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide
CID 100678034
2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-sulfanylbenzamide
CID 107032871
4-hydroxy-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 103951812
2-(4-chlorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]acetamide
CID 122131776
3-bromo-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide
CID 52869461
N-[3-(1-methylpyrazol-4-yl)propyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 91770397
5,6-dichloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 78968072
6-[3-(1-methylpyrazol-4-yl)propylcarbamoyl]pyridine-2-carboxylic acid
CID 119184013
1-(4-hydroxy-2,2-dimethylbutyl)-3-[3-(1-methylpyrazol-4-yl)propyl]urea
CID 111505788
2-(ethylamino)-4-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-1,3-thiazole-5-carboxamide
CID 131933167

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-hydroxy-2-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide?
The IUPAC name of 5-chloro-4-hydroxy-2-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide (CID 167818894) is 5-chloro-4-hydroxy-2-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide.
What is the SMILES notation for 5-chloro-4-hydroxy-2-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide?
The canonical SMILES for 5-chloro-4-hydroxy-2-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide is Cc1cc(O)c(Cl)cc1C(=O)NCCCc1cnn(C)c1.
What is the InChIKey of 5-chloro-4-hydroxy-2-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide?
The InChIKey is MJKJEKJKVOKOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-10-6-14(20)13(16)7-12(10)15(21)17-5-3-4-11-8-18-19(2)9-11/h6-9,20H,3-5H2,1-2H3,(H,17,21).
What are the key properties of 5-chloro-4-hydroxy-2-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide?
5-chloro-4-hydroxy-2-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide has a molecular weight of 307.78 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-hydroxy-2-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide is sourced from PubChem (CID 167818894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).