methyl N-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]carbamate

C15H20N4O2 — CID 43730207

IUPACmethyl N-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NCc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C15H20N4O2/c1-10-14(11(2)19(3)18-10)9-16-12-5-7-13(8-6-12)17-15(20)21-4/h5-8,16H,9H2,1-4H3,(H,17,20)
InChIKeyPMGXZJBUYVANCC-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.83
Rot. Bonds4

About methyl N-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]carbamate

methyl N-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]carbamate (PubChem CID 43730207) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is methyl N-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]carbamate
PubChem CID43730207
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Namemethyl N-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NCc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C15H20N4O2/c1-10-14(11(2)19(3)18-10)9-16-12-5-7-13(8-6-12)17-15(20)21-4/h5-8,16H,9H2,1-4H3,(H,17,20)
InChIKeyPMGXZJBUYVANCC-UHFFFAOYSA-N
XLogP2.83
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[2-fluoro-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]carbamate
CID 75502427
4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide
CID 28614415
methyl N-[4-[[[N'-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamimidoyl]amino]methyl]phenyl]carbamate;hydroiodide
CID 111952908
N-(4-methylphenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide
CID 78989575
methyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate
CID 110731133
1-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]butan-1-one
CID 68722977
methyl 2-chloro-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzoate
CID 43672647
4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzenesulfonamide
CID 28614875
4-(3-methoxypropylsulfanyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 84591237
2,2-dimethyl-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]propanamide
CID 959383
N-(1-hydroxybutan-2-yl)-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]acetamide
CID 111524099
4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-2-carboxylic acid
CID 79241762

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]carbamate?
The IUPAC name of methyl N-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]carbamate (CID 43730207) is methyl N-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]carbamate is COC(=O)Nc1ccc(NCc2c(C)nn(C)c2C)cc1.
What is the InChIKey of methyl N-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]carbamate?
The InChIKey is PMGXZJBUYVANCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10-14(11(2)19(3)18-10)9-16-12-5-7-13(8-6-12)17-15(20)21-4/h5-8,16H,9H2,1-4H3,(H,17,20).
What are the key properties of methyl N-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]carbamate?
methyl N-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]carbamate has a molecular weight of 288.35 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]carbamate is sourced from PubChem (CID 43730207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).