N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-pyrazol-1-ylacetamide

C16H22N4O2 — CID 94173335

IUPACN-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-pyrazol-1-ylacetamide
SMILESCOc1ccccc1[C@@H](CNC(=O)Cn1cccn1)N(C)C
InChIInChI=1S/C16H22N4O2/c1-19(2)14(13-7-4-5-8-15(13)22-3)11-17-16(21)12-20-10-6-9-18-20/h4-10,14H,11-12H2,1-3H3,(H,17,21)/t14-/m1/s1
InChIKeyOOXXQZSAVHFYJT-CQSZACIVSA-N
MW302.38 g/mol
LogP1.31
Rot. Bonds7

About N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-pyrazol-1-ylacetamide

N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-pyrazol-1-ylacetamide (PubChem CID 94173335) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-pyrazol-1-ylacetamide
PubChem CID94173335
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-pyrazol-1-ylacetamide
SMILESCOc1ccccc1[C@@H](CNC(=O)Cn1cccn1)N(C)C
InChIInChI=1S/C16H22N4O2/c1-19(2)14(13-7-4-5-8-15(13)22-3)11-17-16(21)12-20-10-6-9-18-20/h4-10,14H,11-12H2,1-3H3,(H,17,21)/t14-/m1/s1
InChIKeyOOXXQZSAVHFYJT-CQSZACIVSA-N
XLogP1.31
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-pyrazol-1-ylacetamide (CID 94173335) is N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-pyrazol-1-ylacetamide is COc1ccccc1[C@@H](CNC(=O)Cn1cccn1)N(C)C.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-pyrazol-1-ylacetamide?
The InChIKey is OOXXQZSAVHFYJT-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-19(2)14(13-7-4-5-8-15(13)22-3)11-17-16(21)12-20-10-6-9-18-20/h4-10,14H,11-12H2,1-3H3,(H,17,21)/t14-/m1/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-pyrazol-1-ylacetamide?
N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-pyrazol-1-ylacetamide has a molecular weight of 302.38 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 94173335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).