methyl N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamate

C15H19N3O2 — CID 1245305

IUPACmethyl N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamate
SMILESCOC(=O)Nc1c(C)nn(Cc2ccccc2C)c1C
InChIInChI=1S/C15H19N3O2/c1-10-7-5-6-8-13(10)9-18-12(3)14(11(2)17-18)16-15(19)20-4/h5-8H,9H2,1-4H3,(H,16,19)
InChIKeyCJFNZHRFCHFPMX-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.03
Rot. Bonds3

About methyl N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamate

methyl N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamate (PubChem CID 1245305) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is methyl N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamate
PubChem CID1245305
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Namemethyl N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamate
SMILESCOC(=O)Nc1c(C)nn(Cc2ccccc2C)c1C
InChIInChI=1S/C15H19N3O2/c1-10-7-5-6-8-13(10)9-18-12(3)14(11(2)17-18)16-15(19)20-4/h5-8H,9H2,1-4H3,(H,16,19)
InChIKeyCJFNZHRFCHFPMX-UHFFFAOYSA-N
XLogP3.03
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamate?
The IUPAC name of methyl N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamate (CID 1245305) is methyl N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamate.
What is the SMILES notation for methyl N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamate?
The canonical SMILES for methyl N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamate is COC(=O)Nc1c(C)nn(Cc2ccccc2C)c1C.
What is the InChIKey of methyl N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamate?
The InChIKey is CJFNZHRFCHFPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-7-5-6-8-13(10)9-18-12(3)14(11(2)17-18)16-15(19)20-4/h5-8H,9H2,1-4H3,(H,16,19).
What are the key properties of methyl N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamate?
methyl N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamate has a molecular weight of 273.34 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamate is sourced from PubChem (CID 1245305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).