methyl 5-methyl-1-(4-prop-1-en-2-ylphenyl)pyrazole-4-carboxylate

C15H16N2O2 — CID 86692434

IUPACmethyl 5-methyl-1-(4-prop-1-en-2-ylphenyl)pyrazole-4-carboxylate
SMILESC=C(C)c1ccc(-n2ncc(C(=O)OC)c2C)cc1
InChIInChI=1S/C15H16N2O2/c1-10(2)12-5-7-13(8-6-12)17-11(3)14(9-16-17)15(18)19-4/h5-9H,1H2,2-4H3
InChIKeyVGDNITHWWVMVON-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.00
Rot. Bonds3

About methyl 5-methyl-1-(4-prop-1-en-2-ylphenyl)pyrazole-4-carboxylate

methyl 5-methyl-1-(4-prop-1-en-2-ylphenyl)pyrazole-4-carboxylate (PubChem CID 86692434) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is methyl 5-methyl-1-(4-prop-1-en-2-ylphenyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-1-(4-prop-1-en-2-ylphenyl)pyrazole-4-carboxylate
PubChem CID86692434
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Namemethyl 5-methyl-1-(4-prop-1-en-2-ylphenyl)pyrazole-4-carboxylate
SMILESC=C(C)c1ccc(-n2ncc(C(=O)OC)c2C)cc1
InChIInChI=1S/C15H16N2O2/c1-10(2)12-5-7-13(8-6-12)17-11(3)14(9-16-17)15(18)19-4/h5-9H,1H2,2-4H3
InChIKeyVGDNITHWWVMVON-UHFFFAOYSA-N
XLogP3.00
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 5-methyl-1-(4-prop-1-en-2-ylphenyl)pyrazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[[[1-(4-bromophenyl)-5-methylpyrazole-4-carbonyl]amino]methyl]benzoate
CID 46559311
ethyl 1-(4-hydroxyphenyl)-5-methylpyrazole-4-carboxylate
CID 86692424
ethyl 1-[4-(2-hydroxyethylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxylate
CID 78867948
ethyl 1-[4-[[(3,4-dimethoxybenzoyl)amino]carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate
CID 43070191
ethyl 5-methyl-1-[4-(pentan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxylate
CID 46403241
methyl 3-[(5-methyl-1-phenylpyrazol-4-yl)amino]pyridine-4-carboxylate
CID 118969872
1-(4-carbamoylphenyl)-5-methylpyrazole-4-carbonyl chloride
CID 121003901
methyl 4-methyl-3-[[2-(5-methyl-1-phenylpyrazol-4-yl)-2-oxoethyl]amino]benzoate
CID 58861293
methyl 5-amino-1-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxylate
CID 46363469
ethyl 5-methyl-1-(4-methylsulfonylphenyl)pyrazole-4-carboxylate
CID 22267610
ethyl 1-[4-[(2-chlorophenyl)carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate
CID 31910537
ethyl 1-[4-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate
CID 52636921

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-1-(4-prop-1-en-2-ylphenyl)pyrazole-4-carboxylate?
The IUPAC name of methyl 5-methyl-1-(4-prop-1-en-2-ylphenyl)pyrazole-4-carboxylate (CID 86692434) is methyl 5-methyl-1-(4-prop-1-en-2-ylphenyl)pyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-methyl-1-(4-prop-1-en-2-ylphenyl)pyrazole-4-carboxylate?
The canonical SMILES for methyl 5-methyl-1-(4-prop-1-en-2-ylphenyl)pyrazole-4-carboxylate is C=C(C)c1ccc(-n2ncc(C(=O)OC)c2C)cc1.
What is the InChIKey of methyl 5-methyl-1-(4-prop-1-en-2-ylphenyl)pyrazole-4-carboxylate?
The InChIKey is VGDNITHWWVMVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10(2)12-5-7-13(8-6-12)17-11(3)14(9-16-17)15(18)19-4/h5-9H,1H2,2-4H3.
What are the key properties of methyl 5-methyl-1-(4-prop-1-en-2-ylphenyl)pyrazole-4-carboxylate?
methyl 5-methyl-1-(4-prop-1-en-2-ylphenyl)pyrazole-4-carboxylate has a molecular weight of 256.30 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-1-(4-prop-1-en-2-ylphenyl)pyrazole-4-carboxylate is sourced from PubChem (CID 86692434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).