dimethyl 3-[4-(cyclopropylmethoxymethyl)phenyl]-1-phenylpyrazole-4,5-dicarboxylate

C24H24N2O5 — CID 169388048

IUPACdimethyl 3-[4-(cyclopropylmethoxymethyl)phenyl]-1-phenylpyrazole-4,5-dicarboxylate
SMILESCOC(=O)c1c(-c2ccc(COCC3CC3)cc2)nn(-c2ccccc2)c1C(=O)OC
InChIInChI=1S/C24H24N2O5/c1-29-23(27)20-21(18-12-10-17(11-13-18)15-31-14-16-8-9-16)25-26(22(20)24(28)30-2)19-6-4-3-5-7-19/h3-7,10-13,16H,8-9,14-15H2,1-2H3
InChIKeyYELSTYRAKUIKAN-UHFFFAOYSA-N
MW420.47 g/mol
LogP4.04
Rot. Bonds8

About dimethyl 3-[4-(cyclopropylmethoxymethyl)phenyl]-1-phenylpyrazole-4,5-dicarboxylate

dimethyl 3-[4-(cyclopropylmethoxymethyl)phenyl]-1-phenylpyrazole-4,5-dicarboxylate (PubChem CID 169388048) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is dimethyl 3-[4-(cyclopropylmethoxymethyl)phenyl]-1-phenylpyrazole-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-[4-(cyclopropylmethoxymethyl)phenyl]-1-phenylpyrazole-4,5-dicarboxylate
PubChem CID169388048
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC Namedimethyl 3-[4-(cyclopropylmethoxymethyl)phenyl]-1-phenylpyrazole-4,5-dicarboxylate
SMILESCOC(=O)c1c(-c2ccc(COCC3CC3)cc2)nn(-c2ccccc2)c1C(=O)OC
InChIInChI=1S/C24H24N2O5/c1-29-23(27)20-21(18-12-10-17(11-13-18)15-31-14-16-8-9-16)25-26(22(20)24(28)30-2)19-6-4-3-5-7-19/h3-7,10-13,16H,8-9,14-15H2,1-2H3
InChIKeyYELSTYRAKUIKAN-UHFFFAOYSA-N
XLogP4.04
TPSA79.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

dimethyl 3-[4-[(3-fluorophenoxy)methyl]phenyl]-1-phenylpyrazole-4,5-dicarboxylate
CID 169387913
dimethyl 3-[4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxymethyl]phenyl]-1-phenylpyrazole-4,5-dicarboxylate
CID 169389982
dimethyl 3-[4-(2-hydroxyphenyl)phenyl]-1-phenylpyrazole-4,5-dicarboxylate
CID 169388581
dimethyl 3-[4-[ethyl(methyl)amino]phenyl]-1-phenylpyrazole-4,5-dicarboxylate
CID 169388728
dimethyl 3-[4-(difluoromethyl)phenyl]-1-phenylpyrazole-4,5-dicarboxylate
CID 169390044
dimethyl 3-(4-acetyloxyphenyl)-1-phenylpyrazole-4,5-dicarboxylate
CID 169387423
dimethyl 3-[4-[5-(chloromethyl)-2-pyridinyl]phenyl]-1-phenylpyrazole-4,5-dicarboxylate
CID 169389882
dimethyl 3-[4-(3,4-dichlorophenyl)phenyl]-1-phenylpyrazole-4,5-dicarboxylate
CID 169389872
dimethyl 3-[4-(N,4-dimethylanilino)phenyl]-1-phenylpyrazole-4,5-dicarboxylate
CID 169389591
dimethyl 3-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]-1-phenylpyrazole-4,5-dicarboxylate
CID 169390184
dimethyl 3-[4-(1,3-dioxan-2-yl)phenyl]-1-phenylpyrazole-4,5-dicarboxylate
CID 169388517
dimethyl 3-[4-[(2-methylphenyl)methoxy]phenyl]-1-phenylpyrazole-4,5-dicarboxylate
CID 169387768

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-[4-(cyclopropylmethoxymethyl)phenyl]-1-phenylpyrazole-4,5-dicarboxylate?
The IUPAC name of dimethyl 3-[4-(cyclopropylmethoxymethyl)phenyl]-1-phenylpyrazole-4,5-dicarboxylate (CID 169388048) is dimethyl 3-[4-(cyclopropylmethoxymethyl)phenyl]-1-phenylpyrazole-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 3-[4-(cyclopropylmethoxymethyl)phenyl]-1-phenylpyrazole-4,5-dicarboxylate?
The canonical SMILES for dimethyl 3-[4-(cyclopropylmethoxymethyl)phenyl]-1-phenylpyrazole-4,5-dicarboxylate is COC(=O)c1c(-c2ccc(COCC3CC3)cc2)nn(-c2ccccc2)c1C(=O)OC.
What is the InChIKey of dimethyl 3-[4-(cyclopropylmethoxymethyl)phenyl]-1-phenylpyrazole-4,5-dicarboxylate?
The InChIKey is YELSTYRAKUIKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-29-23(27)20-21(18-12-10-17(11-13-18)15-31-14-16-8-9-16)25-26(22(20)24(28)30-2)19-6-4-3-5-7-19/h3-7,10-13,16H,8-9,14-15H2,1-2H3.
What are the key properties of dimethyl 3-[4-(cyclopropylmethoxymethyl)phenyl]-1-phenylpyrazole-4,5-dicarboxylate?
dimethyl 3-[4-(cyclopropylmethoxymethyl)phenyl]-1-phenylpyrazole-4,5-dicarboxylate has a molecular weight of 420.47 g/mol, XLogP of 4.04, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-[4-(cyclopropylmethoxymethyl)phenyl]-1-phenylpyrazole-4,5-dicarboxylate is sourced from PubChem (CID 169388048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).