methyl 4-[3-(5-methoxycyclooctyl)propanoylamino]-1-methylpyrazole-3-carboxylate

C18H29N3O4 — CID 143923996

IUPACmethyl 4-[3-(5-methoxycyclooctyl)propanoylamino]-1-methylpyrazole-3-carboxylate
SMILESCOC(=O)c1nn(C)cc1NC(=O)CCC1CCCC(OC)CCC1
InChIInChI=1S/C18H29N3O4/c1-21-12-15(17(20-21)18(23)25-3)19-16(22)11-10-13-6-4-8-14(24-2)9-5-7-13/h12-14H,4-11H2,1-3H3,(H,19,22)
InChIKeyQWLTUCFBRSPFBR-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.91
Rot. Bonds6

About methyl 4-[3-(5-methoxycyclooctyl)propanoylamino]-1-methylpyrazole-3-carboxylate

methyl 4-[3-(5-methoxycyclooctyl)propanoylamino]-1-methylpyrazole-3-carboxylate (PubChem CID 143923996) has the molecular formula C18H29N3O4 and a molecular weight of 351.45 g/mol. Its IUPAC name is methyl 4-[3-(5-methoxycyclooctyl)propanoylamino]-1-methylpyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[3-(5-methoxycyclooctyl)propanoylamino]-1-methylpyrazole-3-carboxylate
PubChem CID143923996
Molecular FormulaC18H29N3O4
Molecular Weight351.45 g/mol
Exact Mass351.22
IUPAC Namemethyl 4-[3-(5-methoxycyclooctyl)propanoylamino]-1-methylpyrazole-3-carboxylate
SMILESCOC(=O)c1nn(C)cc1NC(=O)CCC1CCCC(OC)CCC1
InChIInChI=1S/C18H29N3O4/c1-21-12-15(17(20-21)18(23)25-3)19-16(22)11-10-13-6-4-8-14(24-2)9-5-7-13/h12-14H,4-11H2,1-3H3,(H,19,22)
InChIKeyQWLTUCFBRSPFBR-UHFFFAOYSA-N
XLogP2.91
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-(3-cyclohexylpropanoylamino)-1,5-dimethylpyrazole-3-carboxylate
CID 95748419
methyl 1-methyl-4-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate
CID 19341558
4-[(2-chloroacetyl)amino]-N-cyclobutyl-1-methylpyrazole-3-carboxamide
CID 154848802
methyl 4-(3-cyclopentylpropanoylamino)-1,3-dimethylpyrazole-5-carboxylate
CID 95749047
N-(3-ethyl-1-methylpyrazol-4-yl)-3-piperidin-3-ylpropanamide
CID 107463133
3-cyclopentyl-N-(2,5-dimethylpyrazol-3-yl)propanamide
CID 35291168
methyl 4-(3-cyclohexylpropanoylamino)-3-methylbenzoate
CID 38091591
dimethyl 2-(3-cyclohexylpropanoylamino)benzene-1,4-dicarboxylate
CID 843119
N-(2-acetamidophenyl)-3-cyclopentylpropanamide
CID 976246
4-amino-N-(4-methoxycyclohexyl)-1-methylpyrazole-3-carboxamide
CID 59733437
1-(cyclobutylmethyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]urea
CID 146129965
N-(2-chlorophenyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110858773

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-(5-methoxycyclooctyl)propanoylamino]-1-methylpyrazole-3-carboxylate?
The IUPAC name of methyl 4-[3-(5-methoxycyclooctyl)propanoylamino]-1-methylpyrazole-3-carboxylate (CID 143923996) is methyl 4-[3-(5-methoxycyclooctyl)propanoylamino]-1-methylpyrazole-3-carboxylate.
What is the SMILES notation for methyl 4-[3-(5-methoxycyclooctyl)propanoylamino]-1-methylpyrazole-3-carboxylate?
The canonical SMILES for methyl 4-[3-(5-methoxycyclooctyl)propanoylamino]-1-methylpyrazole-3-carboxylate is COC(=O)c1nn(C)cc1NC(=O)CCC1CCCC(OC)CCC1.
What is the InChIKey of methyl 4-[3-(5-methoxycyclooctyl)propanoylamino]-1-methylpyrazole-3-carboxylate?
The InChIKey is QWLTUCFBRSPFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4/c1-21-12-15(17(20-21)18(23)25-3)19-16(22)11-10-13-6-4-8-14(24-2)9-5-7-13/h12-14H,4-11H2,1-3H3,(H,19,22).
What are the key properties of methyl 4-[3-(5-methoxycyclooctyl)propanoylamino]-1-methylpyrazole-3-carboxylate?
methyl 4-[3-(5-methoxycyclooctyl)propanoylamino]-1-methylpyrazole-3-carboxylate has a molecular weight of 351.45 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-(5-methoxycyclooctyl)propanoylamino]-1-methylpyrazole-3-carboxylate is sourced from PubChem (CID 143923996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).