methoxycyclopentane;3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide

C20H28N4O3 — CID 142418233

IUPACmethoxycyclopentane;3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(N)=O)n(C(C)c2ccccc2)n1.COC1CCCC1
InChIInChI=1S/C14H16N4O2.C6H12O/c1-9(10-6-4-3-5-7-10)18-12(13(15)19)8-11(17-18)14(20)16-2;1-7-6-4-2-3-5-6/h3-9H,1-2H3,(H2,15,19)(H,16,20);6H,2-5H2,1H3
InChIKeyDBJBOYCNEHYLDO-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.53
Rot. Bonds5

About methoxycyclopentane;3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide

methoxycyclopentane;3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide (PubChem CID 142418233) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is methoxycyclopentane;3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Namemethoxycyclopentane;3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide
PubChem CID142418233
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Namemethoxycyclopentane;3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(N)=O)n(C(C)c2ccccc2)n1.COC1CCCC1
InChIInChI=1S/C14H16N4O2.C6H12O/c1-9(10-6-4-3-5-7-10)18-12(13(15)19)8-11(17-18)14(20)16-2;1-7-6-4-2-3-5-6/h3-9H,1-2H3,(H2,15,19)(H,16,20);6H,2-5H2,1H3
InChIKeyDBJBOYCNEHYLDO-UHFFFAOYSA-N
XLogP2.53
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-(cyclopropylmethyl)-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide
CID 142418016
5-N-(4-hydroxy-4-methylcyclohexyl)-3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide
CID 147349873
5-N-[(1S,2R)-2-(hydroxymethyl)cyclopropyl]-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide
CID 147499857
5-N-[(2S)-butan-2-yl]-3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide
CID 167262141
1-[1-(3-methoxyphenyl)ethyl]-3-(methylcarbamoyl)pyrazole-5-carboxylic acid
CID 167262385
3-N-methyl-5-N-(1-methylpyrazol-4-yl)-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide
CID 153297955
5-N-(3,3-diethoxypropyl)-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide
CID 135318596
cyclobutyl 3-fluoro-1-[(1R)-1-phenylethyl]pyrazole-5-carboxylate
CID 167321253
3-N-methyl-1-[(1S)-1-phenylethyl]-5-N-(2-pyridin-2-ylethyl)pyrazole-3,5-dicarboxamide
CID 142418210
5-N-(4-hydroxycyclohexyl)-3-N-methyl-1-[(1S)-1-(3-methylphenyl)ethyl]pyrazole-3,5-dicarboxamide
CID 147447652
methyl 1-[(1S)-1-(2-fluorophenyl)ethyl]-3-(methylcarbamoyl)pyrazole-5-carboxylate
CID 146992793
3-(methylcarbamoyl)-1-(1-phenylpropyl)pyrazole-5-carboxylic acid
CID 167262660

Frequently Asked Questions

What is the IUPAC name of methoxycyclopentane;3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide?
The IUPAC name of methoxycyclopentane;3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide (CID 142418233) is methoxycyclopentane;3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide.
What is the SMILES notation for methoxycyclopentane;3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide?
The canonical SMILES for methoxycyclopentane;3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide is CNC(=O)c1cc(C(N)=O)n(C(C)c2ccccc2)n1.COC1CCCC1.
What is the InChIKey of methoxycyclopentane;3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide?
The InChIKey is DBJBOYCNEHYLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2.C6H12O/c1-9(10-6-4-3-5-7-10)18-12(13(15)19)8-11(17-18)14(20)16-2;1-7-6-4-2-3-5-6/h3-9H,1-2H3,(H2,15,19)(H,16,20);6H,2-5H2,1H3.
What are the key properties of methoxycyclopentane;3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide?
methoxycyclopentane;3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide has a molecular weight of 372.47 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxycyclopentane;3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide is sourced from PubChem (CID 142418233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).