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

C21H30N4O3 — CID 55732390

IUPACmethyl N-[4-[[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]methyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(CNC(=O)CCc2c(C)nn(CC(C)C)c2C)cc1
InChIInChI=1S/C21H30N4O3/c1-14(2)13-25-16(4)19(15(3)24-25)10-11-20(26)22-12-17-6-8-18(9-7-17)23-21(27)28-5/h6-9,14H,10-13H2,1-5H3,(H,22,26)(H,23,27)
InChIKeyHMEYVEICFNBMQY-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.58
Rot. Bonds8

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

methyl N-[4-[[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]methyl]phenyl]carbamate (PubChem CID 55732390) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is methyl N-[4-[[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]methyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]methyl]phenyl]carbamate
PubChem CID55732390
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Namemethyl N-[4-[[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]methyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(CNC(=O)CCc2c(C)nn(CC(C)C)c2C)cc1
InChIInChI=1S/C21H30N4O3/c1-14(2)13-25-16(4)19(15(3)24-25)10-11-20(26)22-12-17-6-8-18(9-7-17)23-21(27)28-5/h6-9,14H,10-13H2,1-5H3,(H,22,26)(H,23,27)
InChIKeyHMEYVEICFNBMQY-UHFFFAOYSA-N
XLogP3.58
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl N-[4-[[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]methyl]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

Related Compounds

3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide
CID 37358059
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 39978444
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide
CID 30548586
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]propanamide
CID 55747151
5-[[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]methyl]furan-2-carboxylic acid
CID 119245670
N-[3-[[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]methyl]phenyl]-4-methylbenzamide
CID 52702467
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]propanamide
CID 52663082
N-[4-(cyclopropylcarbamoylamino)phenyl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
CID 37294430
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(2,6-dimethylphenoxy)ethyl]propanamide
CID 55716936
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
CID 43018460
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide
CID 87043515
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-ethylphenyl)propanamide
CID 8530903

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]methyl]phenyl]carbamate?
The IUPAC name of methyl N-[4-[[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]methyl]phenyl]carbamate (CID 55732390) is methyl N-[4-[[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]methyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]methyl]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]methyl]phenyl]carbamate is COC(=O)Nc1ccc(CNC(=O)CCc2c(C)nn(CC(C)C)c2C)cc1.
What is the InChIKey of methyl N-[4-[[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]methyl]phenyl]carbamate?
The InChIKey is HMEYVEICFNBMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-14(2)13-25-16(4)19(15(3)24-25)10-11-20(26)22-12-17-6-8-18(9-7-17)23-21(27)28-5/h6-9,14H,10-13H2,1-5H3,(H,22,26)(H,23,27).
What are the key properties of methyl N-[4-[[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]methyl]phenyl]carbamate?
methyl N-[4-[[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]methyl]phenyl]carbamate has a molecular weight of 386.50 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]methyl]phenyl]carbamate is sourced from PubChem (CID 55732390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).