2-methylpropyl N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]carbamate

C21H26N4O2 — CID 108746882

IUPAC2-methylpropyl N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]carbamate
SMILESCc1cc(C)c2nc(-n3nc(C)cc3NC(=O)OCC(C)C)cc(C)c2c1
InChIInChI=1S/C21H26N4O2/c1-12(2)11-27-21(26)23-19-10-16(6)24-25(19)18-9-14(4)17-8-13(3)7-15(5)20(17)22-18/h7-10,12H,11H2,1-6H3,(H,23,26)
InChIKeyPSDKFSUBGRWKQF-UHFFFAOYSA-N
MW366.47 g/mol
LogP4.86
Rot. Bonds4

About 2-methylpropyl N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]carbamate

2-methylpropyl N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]carbamate (PubChem CID 108746882) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-methylpropyl N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]carbamate
PubChem CID108746882
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name2-methylpropyl N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]carbamate
SMILESCc1cc(C)c2nc(-n3nc(C)cc3NC(=O)OCC(C)C)cc(C)c2c1
InChIInChI=1S/C21H26N4O2/c1-12(2)11-27-21(26)23-19-10-16(6)24-25(19)18-9-14(4)17-8-13(3)7-15(5)20(17)22-18/h7-10,12H,11H2,1-6H3,(H,23,26)
InChIKeyPSDKFSUBGRWKQF-UHFFFAOYSA-N
XLogP4.86
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methylpropyl N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]carbamate 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

2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]acetamide
CID 108806624
3-methyl-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-1-benzofuran-2-carboxamide
CID 108805486
1-(4,6-dimethylpyrimidin-2-yl)-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]piperidine-4-carboxamide
CID 108746908
4-(5-chloro-2-methoxyphenyl)-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-4-oxobutanamide
CID 108746925
3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]benzamide
CID 108746898
1-tert-butyl-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 108769084
ethyl 5-(ethoxycarbonylamino)-1-(4,6,8-trimethylquinolin-2-yl)pyrazole-4-carboxylate
CID 108747141
methyl N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]carbamate
CID 108747073
4-fluoro-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]benzenesulfonamide
CID 108783943
N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-(2-propan-2-ylphenoxy)propanamide
CID 108769696
N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-5-propan-2-yl-1,3-benzoxazol-2-amine
CID 108778919
2,6-dimethyl-5-[(4-methylphenyl)methyl]-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]pyrimidin-4-amine
CID 108778926

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]carbamate?
The IUPAC name of 2-methylpropyl N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]carbamate (CID 108746882) is 2-methylpropyl N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]carbamate?
The canonical SMILES for 2-methylpropyl N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]carbamate is Cc1cc(C)c2nc(-n3nc(C)cc3NC(=O)OCC(C)C)cc(C)c2c1.
What is the InChIKey of 2-methylpropyl N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]carbamate?
The InChIKey is PSDKFSUBGRWKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-12(2)11-27-21(26)23-19-10-16(6)24-25(19)18-9-14(4)17-8-13(3)7-15(5)20(17)22-18/h7-10,12H,11H2,1-6H3,(H,23,26).
What are the key properties of 2-methylpropyl N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]carbamate?
2-methylpropyl N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]carbamate has a molecular weight of 366.47 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]carbamate is sourced from PubChem (CID 108746882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).