N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]acetamide

C15H20N4O2 — CID 25093237

IUPACN-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cn[nH]c2)cc1OCCN(C)C
InChIInChI=1S/C15H20N4O2/c1-11(20)18-14-5-4-12(13-9-16-17-10-13)8-15(14)21-7-6-19(2)3/h4-5,8-10H,6-7H2,1-3H3,(H,16,17)(H,18,20)
InChIKeyHZPYFFXQDMHITB-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.98
Rot. Bonds6

About N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]acetamide

N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]acetamide (PubChem CID 25093237) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]acetamide
PubChem CID25093237
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cn[nH]c2)cc1OCCN(C)C
InChIInChI=1S/C15H20N4O2/c1-11(20)18-14-5-4-12(13-9-16-17-10-13)8-15(14)21-7-6-19(2)3/h4-5,8-10H,6-7H2,1-3H3,(H,16,17)(H,18,20)
InChIKeyHZPYFFXQDMHITB-UHFFFAOYSA-N
XLogP1.98
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-(2-(dimethylamino)ethoxy)-4-(1H-pyrazol-4-yl)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamide
CID 25093235
N-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 25093234
2-(2-(dimethylamino)ethoxy)-4-(1H-pyrazol-4-yl)aniline
CID 25093236
N-(2-(2-(dimethylamino)ethoxy)-4-(1H-pyrazol-4-yl)phenyl)-6-methoxychroman-3-carboxamide
CID 25262260
1-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]urea
CID 45380476
1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)phenyl]urea
CID 45381939
1-ethyl-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)phenyl]urea
CID 46947635
(3S)-N-(2-(2-(Dimethylamino)ethoxy)-4-(1H-pyrazol-4-yl)phenyl)-6-methoxy-3,4-dihydro-2H-1-benzopyran-3-carboxamide
CID 66577033
1-ethyl-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68517263
1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68560854
3-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-1-[(3-methoxyphenyl)methyl]-1-methylurea
CID 68562824
1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68563058

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]acetamide?
The IUPAC name of N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]acetamide (CID 25093237) is N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]acetamide.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]acetamide?
The canonical SMILES for N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]acetamide is CC(=O)Nc1ccc(-c2cn[nH]c2)cc1OCCN(C)C.
What is the InChIKey of N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]acetamide?
The InChIKey is HZPYFFXQDMHITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-11(20)18-14-5-4-12(13-9-16-17-10-13)8-15(14)21-7-6-19(2)3/h4-5,8-10H,6-7H2,1-3H3,(H,16,17)(H,18,20).
What are the key properties of N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]acetamide?
N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]acetamide has a molecular weight of 288.35 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 25093237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).