2-[4-[5-(hydroxymethyl)-2-methoxyphenyl]pyrazol-1-yl]-N,N-dimethylacetamide

C15H19N3O3 — CID 171919853

IUPAC2-[4-[5-(hydroxymethyl)-2-methoxyphenyl]pyrazol-1-yl]-N,N-dimethylacetamide
SMILESCOc1ccc(CO)cc1-c1cnn(CC(=O)N(C)C)c1
InChIInChI=1S/C15H19N3O3/c1-17(2)15(20)9-18-8-12(7-16-18)13-6-11(10-19)4-5-14(13)21-3/h4-8,19H,9-10H2,1-3H3
InChIKeyWLMQWKKSMNDSQT-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.14
Rot. Bonds5

About 2-[4-[5-(hydroxymethyl)-2-methoxyphenyl]pyrazol-1-yl]-N,N-dimethylacetamide

2-[4-[5-(hydroxymethyl)-2-methoxyphenyl]pyrazol-1-yl]-N,N-dimethylacetamide (PubChem CID 171919853) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-[4-[5-(hydroxymethyl)-2-methoxyphenyl]pyrazol-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[5-(hydroxymethyl)-2-methoxyphenyl]pyrazol-1-yl]-N,N-dimethylacetamide
PubChem CID171919853
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name2-[4-[5-(hydroxymethyl)-2-methoxyphenyl]pyrazol-1-yl]-N,N-dimethylacetamide
SMILESCOc1ccc(CO)cc1-c1cnn(CC(=O)N(C)C)c1
InChIInChI=1S/C15H19N3O3/c1-17(2)15(20)9-18-8-12(7-16-18)13-6-11(10-19)4-5-14(13)21-3/h4-8,19H,9-10H2,1-3H3
InChIKeyWLMQWKKSMNDSQT-UHFFFAOYSA-N
XLogP1.14
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(hydroxymethyl)-2-methoxyphenyl]pyrazol-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[5-(hydroxymethyl)-2-methoxyphenyl]pyrazol-1-yl]-N,N-dimethylacetamide (CID 171919853) is 2-[4-[5-(hydroxymethyl)-2-methoxyphenyl]pyrazol-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[5-(hydroxymethyl)-2-methoxyphenyl]pyrazol-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[5-(hydroxymethyl)-2-methoxyphenyl]pyrazol-1-yl]-N,N-dimethylacetamide is COc1ccc(CO)cc1-c1cnn(CC(=O)N(C)C)c1.
What is the InChIKey of 2-[4-[5-(hydroxymethyl)-2-methoxyphenyl]pyrazol-1-yl]-N,N-dimethylacetamide?
The InChIKey is WLMQWKKSMNDSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-17(2)15(20)9-18-8-12(7-16-18)13-6-11(10-19)4-5-14(13)21-3/h4-8,19H,9-10H2,1-3H3.
What are the key properties of 2-[4-[5-(hydroxymethyl)-2-methoxyphenyl]pyrazol-1-yl]-N,N-dimethylacetamide?
2-[4-[5-(hydroxymethyl)-2-methoxyphenyl]pyrazol-1-yl]-N,N-dimethylacetamide has a molecular weight of 289.34 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(hydroxymethyl)-2-methoxyphenyl]pyrazol-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 171919853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).