2-[methyl-[[1-(oxan-2-yl)-3-(4-oxocyclohexyl)pyrazol-4-yl]methyl]amino]propylcarbamic acid

C20H32N4O4 — CID 90460897

IUPAC2-[methyl-[[1-(oxan-2-yl)-3-(4-oxocyclohexyl)pyrazol-4-yl]methyl]amino]propylcarbamic acid
SMILESCC(CNC(=O)O)N(C)Cc1cn(C2CCCCO2)nc1C1CCC(=O)CC1
InChIInChI=1S/C20H32N4O4/c1-14(11-21-20(26)27)23(2)12-16-13-24(18-5-3-4-10-28-18)22-19(16)15-6-8-17(25)9-7-15/h13-15,18,21H,3-12H2,1-2H3,(H,26,27)
InChIKeyIVUYPJBKDKWQQF-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.90
Rot. Bonds7

About 2-[methyl-[[1-(oxan-2-yl)-3-(4-oxocyclohexyl)pyrazol-4-yl]methyl]amino]propylcarbamic acid

2-[methyl-[[1-(oxan-2-yl)-3-(4-oxocyclohexyl)pyrazol-4-yl]methyl]amino]propylcarbamic acid (PubChem CID 90460897) has the molecular formula C20H32N4O4 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-[methyl-[[1-(oxan-2-yl)-3-(4-oxocyclohexyl)pyrazol-4-yl]methyl]amino]propylcarbamic acid.

Molecular Properties

Compound Name2-[methyl-[[1-(oxan-2-yl)-3-(4-oxocyclohexyl)pyrazol-4-yl]methyl]amino]propylcarbamic acid
PubChem CID90460897
Molecular FormulaC20H32N4O4
Molecular Weight392.50 g/mol
Exact Mass392.24
IUPAC Name2-[methyl-[[1-(oxan-2-yl)-3-(4-oxocyclohexyl)pyrazol-4-yl]methyl]amino]propylcarbamic acid
SMILESCC(CNC(=O)O)N(C)Cc1cn(C2CCCCO2)nc1C1CCC(=O)CC1
InChIInChI=1S/C20H32N4O4/c1-14(11-21-20(26)27)23(2)12-16-13-24(18-5-3-4-10-28-18)22-19(16)15-6-8-17(25)9-7-15/h13-15,18,21H,3-12H2,1-2H3,(H,26,27)
InChIKeyIVUYPJBKDKWQQF-UHFFFAOYSA-N
XLogP2.90
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[methyl-[[1-(oxan-2-yl)-3-(4-oxocyclohexyl)pyrazol-4-yl]methyl]amino]propylcarbamic acid 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-[[3-(3,3-Dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methyl-methylamino]propylcarbamic acid
CID 90460260
tert-butyl N-methyl-N-[2-[methyl-[[1-[(2R)-oxan-2-yl]-3-(4-oxocyclohexyl)pyrazol-4-yl]methyl]amino]ethyl]carbamate
CID 90460764
tert-butyl N-methyl-N-[2-[methyl([[1-(oxan-2-yl)-3-(4-oxocyclohexyl)-1H-pyrazol-4-yl]methyl])amino]ethyl]carbamate
CID 90460766
Methyl-[2-[methyl-[[1-(oxan-2-yl)-3-(4-oxocyclohexyl)pyrazol-4-yl]methyl]amino]ethyl]carbamic acid
CID 90460893
tert-butyl N-methyl-N-[2-[methyl-[[1-[(2R)-oxan-2-yl]-3-piperidin-4-ylpyrazol-4-yl]methyl]amino]ethyl]carbamate
CID 90460971
(R/S) tert-butyl methyl(2-(methyl((3-(piperidin-4-yl)-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-4-yl)methyl)amino)ethyl)carbamate
CID 90460972
2-[[3-[(3R)-4,4-dimethyl-3-(3-methylbutylcarbamoyl)cyclohexyl]-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl-methylcarbamic acid
CID 90461091
tert-butyl N-[2-[[3-[3-(3-methoxypropylcarbamoyl)-4,4-dimethylcyclohexyl]-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate
CID 90461322
Methyl-[2-[methyl-[[1-(oxan-2-yl)-3-piperidin-4-ylpyrazol-4-yl]methyl]amino]ethyl]carbamic acid
CID 90461421
tert-butyl methyl(2-(methyl((3-(1-(3-methylbutanoyl)piperidin-4-yl)-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-4-yl)methyl)amino)ethyl)carbamate
CID 90462682
tert-butyl N-[2-[[3-(4-hydroxycyclohexyl)-1-[(2R)-oxan-2-yl]pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate
CID 90462724
(R/S) tert-butyl N-[2-([[3-(4-hydroxycyclohexyl)-1-(oxan-2-yl)-1H-pyrazol-4-yl]methyl](methyl)amino)ethyl]-N-methylcarbamate
CID 90462726

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[1-(oxan-2-yl)-3-(4-oxocyclohexyl)pyrazol-4-yl]methyl]amino]propylcarbamic acid?
The IUPAC name of 2-[methyl-[[1-(oxan-2-yl)-3-(4-oxocyclohexyl)pyrazol-4-yl]methyl]amino]propylcarbamic acid (CID 90460897) is 2-[methyl-[[1-(oxan-2-yl)-3-(4-oxocyclohexyl)pyrazol-4-yl]methyl]amino]propylcarbamic acid.
What is the SMILES notation for 2-[methyl-[[1-(oxan-2-yl)-3-(4-oxocyclohexyl)pyrazol-4-yl]methyl]amino]propylcarbamic acid?
The canonical SMILES for 2-[methyl-[[1-(oxan-2-yl)-3-(4-oxocyclohexyl)pyrazol-4-yl]methyl]amino]propylcarbamic acid is CC(CNC(=O)O)N(C)Cc1cn(C2CCCCO2)nc1C1CCC(=O)CC1.
What is the InChIKey of 2-[methyl-[[1-(oxan-2-yl)-3-(4-oxocyclohexyl)pyrazol-4-yl]methyl]amino]propylcarbamic acid?
The InChIKey is IVUYPJBKDKWQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O4/c1-14(11-21-20(26)27)23(2)12-16-13-24(18-5-3-4-10-28-18)22-19(16)15-6-8-17(25)9-7-15/h13-15,18,21H,3-12H2,1-2H3,(H,26,27).
What are the key properties of 2-[methyl-[[1-(oxan-2-yl)-3-(4-oxocyclohexyl)pyrazol-4-yl]methyl]amino]propylcarbamic acid?
2-[methyl-[[1-(oxan-2-yl)-3-(4-oxocyclohexyl)pyrazol-4-yl]methyl]amino]propylcarbamic acid has a molecular weight of 392.50 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[1-(oxan-2-yl)-3-(4-oxocyclohexyl)pyrazol-4-yl]methyl]amino]propylcarbamic acid is sourced from PubChem (CID 90460897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).