methyl N-[3-methyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]carbamate

C21H24N6O2 — CID 166594326

IUPACmethyl N-[3-methyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NC2CC(c3ccc(-n4cccn4)cc3)NN2)c(C)c1
InChIInChI=1S/C21H24N6O2/c1-14-12-16(23-21(28)29-2)6-9-18(14)24-20-13-19(25-26-20)15-4-7-17(8-5-15)27-11-3-10-22-27/h3-12,19-20,24-26H,13H2,1-2H3,(H,23,28)
InChIKeyFVTDTYXHOJKHKC-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.34
Rot. Bonds5

About methyl N-[3-methyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]carbamate

methyl N-[3-methyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]carbamate (PubChem CID 166594326) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is methyl N-[3-methyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-methyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]carbamate
PubChem CID166594326
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Namemethyl N-[3-methyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NC2CC(c3ccc(-n4cccn4)cc3)NN2)c(C)c1
InChIInChI=1S/C21H24N6O2/c1-14-12-16(23-21(28)29-2)6-9-18(14)24-20-13-19(25-26-20)15-4-7-17(8-5-15)27-11-3-10-22-27/h3-12,19-20,24-26H,13H2,1-2H3,(H,23,28)
InChIKeyFVTDTYXHOJKHKC-UHFFFAOYSA-N
XLogP3.34
TPSA92.24 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze methyl N-[3-methyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-methyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]carbamate?
The IUPAC name of methyl N-[3-methyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]carbamate (CID 166594326) is methyl N-[3-methyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]carbamate.
What is the SMILES notation for methyl N-[3-methyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]carbamate?
The canonical SMILES for methyl N-[3-methyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]carbamate is COC(=O)Nc1ccc(NC2CC(c3ccc(-n4cccn4)cc3)NN2)c(C)c1.
What is the InChIKey of methyl N-[3-methyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]carbamate?
The InChIKey is FVTDTYXHOJKHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-14-12-16(23-21(28)29-2)6-9-18(14)24-20-13-19(25-26-20)15-4-7-17(8-5-15)27-11-3-10-22-27/h3-12,19-20,24-26H,13H2,1-2H3,(H,23,28).
What are the key properties of methyl N-[3-methyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]carbamate?
methyl N-[3-methyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]carbamate has a molecular weight of 392.46 g/mol, XLogP of 3.34, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-methyl-4-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]carbamate is sourced from PubChem (CID 166594326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).