N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide

C17H21N5O3 — CID 118795212

IUPACN-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
SMILESCOc1ccc(-c2[nH]ncc2CNC(=O)CN2CCN(C)C2=O)cc1
InChIInChI=1S/C17H21N5O3/c1-21-7-8-22(17(21)24)11-15(23)18-9-13-10-19-20-16(13)12-3-5-14(25-2)6-4-12/h3-6,10H,7-9,11H2,1-2H3,(H,18,23)(H,19,20)
InChIKeyJVYVCMRMVLOCMU-UHFFFAOYSA-N
MW343.39 g/mol
LogP1.07
Rot. Bonds6

About N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide

N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide (PubChem CID 118795212) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
PubChem CID118795212
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC NameN-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
SMILESCOc1ccc(-c2[nH]ncc2CNC(=O)CN2CCN(C)C2=O)cc1
InChIInChI=1S/C17H21N5O3/c1-21-7-8-22(17(21)24)11-15(23)18-9-13-10-19-20-16(13)12-3-5-14(25-2)6-4-12/h3-6,10H,7-9,11H2,1-2H3,(H,18,23)(H,19,20)
InChIKeyJVYVCMRMVLOCMU-UHFFFAOYSA-N
XLogP1.07
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]acetamide
CID 91829160
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CID 122560013
(2R)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 125442613
N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 167887384
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 70772191
2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]acetamide
CID 24791239
1-[3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propyl]piperidin-4-ol
CID 110929429
1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-methylurea
CID 122558814
1-[(3S)-1-ethylpyrrolidin-3-yl]-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine
CID 94194229
2-(4-methoxyphenyl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 17450711
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide (CID 118795212) is N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide is COc1ccc(-c2[nH]ncc2CNC(=O)CN2CCN(C)C2=O)cc1.
What is the InChIKey of N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide?
The InChIKey is JVYVCMRMVLOCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-21-7-8-22(17(21)24)11-15(23)18-9-13-10-19-20-16(13)12-3-5-14(25-2)6-4-12/h3-6,10H,7-9,11H2,1-2H3,(H,18,23)(H,19,20).
What are the key properties of N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide?
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide has a molecular weight of 343.39 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 118795212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).