2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[5-(hydroxymethyl)-2-methylphenyl]acetamide

C15H18ClN3O2 — CID 110028080

IUPAC2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[5-(hydroxymethyl)-2-methylphenyl]acetamide
SMILESCc1ccc(CO)cc1NC(=O)Cc1c(C)nn(C)c1Cl
InChIInChI=1S/C15H18ClN3O2/c1-9-4-5-11(8-20)6-13(9)17-14(21)7-12-10(2)18-19(3)15(12)16/h4-6,20H,7-8H2,1-3H3,(H,17,21)
InChIKeyRBOFHDBVVRKYFD-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.36
Rot. Bonds4

About 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[5-(hydroxymethyl)-2-methylphenyl]acetamide

2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[5-(hydroxymethyl)-2-methylphenyl]acetamide (PubChem CID 110028080) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[5-(hydroxymethyl)-2-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[5-(hydroxymethyl)-2-methylphenyl]acetamide
PubChem CID110028080
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[5-(hydroxymethyl)-2-methylphenyl]acetamide
SMILESCc1ccc(CO)cc1NC(=O)Cc1c(C)nn(C)c1Cl
InChIInChI=1S/C15H18ClN3O2/c1-9-4-5-11(8-20)6-13(9)17-14(21)7-12-10(2)18-19(3)15(12)16/h4-6,20H,7-8H2,1-3H3,(H,17,21)
InChIKeyRBOFHDBVVRKYFD-UHFFFAOYSA-N
XLogP2.36
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[5-(hydroxymethyl)-2-methylphenyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 5193021
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]acetamide
CID 110028082
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[1-(4-ethylphenyl)-2-hydroxyethyl]acetamide
CID 110028247
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3,5-dimethylphenyl)ethanone
CID 115799467
1-(4-bromo-3,5-dimethylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanone
CID 114329787
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 43050657
N-(4-bromo-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 24665858
N-(5-chloro-2-methylphenyl)-2-(4-hydroxyphenyl)acetamide
CID 78838585
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-chloro-5-methylphenyl)ethanone
CID 115799634
N-(2,5-dimethylphenyl)-2-(4-methylphenyl)acetamide
CID 889351
N-(5-chloro-2-methylphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 30275732
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(2-hydroxy-4-methylpentyl)acetamide
CID 110027961

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[5-(hydroxymethyl)-2-methylphenyl]acetamide?
The IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[5-(hydroxymethyl)-2-methylphenyl]acetamide (CID 110028080) is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[5-(hydroxymethyl)-2-methylphenyl]acetamide.
What is the SMILES notation for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[5-(hydroxymethyl)-2-methylphenyl]acetamide?
The canonical SMILES for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[5-(hydroxymethyl)-2-methylphenyl]acetamide is Cc1ccc(CO)cc1NC(=O)Cc1c(C)nn(C)c1Cl.
What is the InChIKey of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[5-(hydroxymethyl)-2-methylphenyl]acetamide?
The InChIKey is RBOFHDBVVRKYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-9-4-5-11(8-20)6-13(9)17-14(21)7-12-10(2)18-19(3)15(12)16/h4-6,20H,7-8H2,1-3H3,(H,17,21).
What are the key properties of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[5-(hydroxymethyl)-2-methylphenyl]acetamide?
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[5-(hydroxymethyl)-2-methylphenyl]acetamide has a molecular weight of 307.78 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[5-(hydroxymethyl)-2-methylphenyl]acetamide is sourced from PubChem (CID 110028080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).