N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide

C18H23N3O3 — CID 95935311

IUPACN-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide
SMILESCc1ccccc1-c1cc(NC(=O)COC[C@@H]2CCCO2)n(C)n1
InChIInChI=1S/C18H23N3O3/c1-13-6-3-4-8-15(13)16-10-17(21(2)20-16)19-18(22)12-23-11-14-7-5-9-24-14/h3-4,6,8,10,14H,5,7,9,11-12H2,1-2H3,(H,19,22)/t14-/m0/s1
InChIKeyVDPFXCMWVSWVDL-AWEZNQCLSA-N
MW329.40 g/mol
LogP2.53
Rot. Bonds6

About N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide

N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide (PubChem CID 95935311) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide.

Molecular Properties

Compound NameN-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide
PubChem CID95935311
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide
SMILESCc1ccccc1-c1cc(NC(=O)COC[C@@H]2CCCO2)n(C)n1
InChIInChI=1S/C18H23N3O3/c1-13-6-3-4-8-15(13)16-10-17(21(2)20-16)19-18(22)12-23-11-14-7-5-9-24-14/h3-4,6,8,10,14H,5,7,9,11-12H2,1-2H3,(H,19,22)/t14-/m0/s1
InChIKeyVDPFXCMWVSWVDL-AWEZNQCLSA-N
XLogP2.53
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]oxolane-2-carboxamide
CID 97007846
N-[2-(4-methylpentan-2-yl)pyrazol-3-yl]-2-(oxolan-2-ylmethoxy)acetamide
CID 56789769
N-(3-amino-4-methylphenyl)-2-(oxolan-2-ylmethoxy)acetamide
CID 43376615
N-[2-(aminomethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 18069772
ethyl 1-methyl-3-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pyrrole-2-carboxylate
CID 164642629
N-(4-bromo-3-chloro-2-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide
CID 126832557
(2S)-2-methoxy-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]propanamide
CID 96521758
2-(oxolan-2-ylmethoxy)-N-(1,2-thiazol-5-yl)acetamide
CID 126829996
N-(2-carbamothioylphenyl)-2-(oxolan-2-ylmethoxy)acetamide
CID 24702582
N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-3-(oxolan-2-ylmethoxy)propanamide
CID 55760705
N-(2-amino-4-methylphenyl)-2-(oxan-2-ylmethoxy)acetamide
CID 43376662
1-(oxolan-2-ylmethoxy)propan-2-one
CID 43798300

Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide?
The IUPAC name of N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide (CID 95935311) is N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide.
What is the SMILES notation for N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide?
The canonical SMILES for N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide is Cc1ccccc1-c1cc(NC(=O)COC[C@@H]2CCCO2)n(C)n1.
What is the InChIKey of N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide?
The InChIKey is VDPFXCMWVSWVDL-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13-6-3-4-8-15(13)16-10-17(21(2)20-16)19-18(22)12-23-11-14-7-5-9-24-14/h3-4,6,8,10,14H,5,7,9,11-12H2,1-2H3,(H,19,22)/t14-/m0/s1.
What are the key properties of N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide?
N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide has a molecular weight of 329.40 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide is sourced from PubChem (CID 95935311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).