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

C9H15N3O2 — CID 110731133

IUPACmethyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate
SMILESCOC(=O)NCc1c(C)nn(C)c1C
InChIInChI=1S/C9H15N3O2/c1-6-8(5-10-9(13)14-4)7(2)12(3)11-6/h5H2,1-4H3,(H,10,13)
InChIKeyMXFVVALKPIBBFU-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.89
Rot. Bonds2

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

methyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate (PubChem CID 110731133) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is methyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate
PubChem CID110731133
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Namemethyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate
SMILESCOC(=O)NCc1c(C)nn(C)c1C
InChIInChI=1S/C9H15N3O2/c1-6-8(5-10-9(13)14-4)7(2)12(3)11-6/h5H2,1-4H3,(H,10,13)
InChIKeyMXFVVALKPIBBFU-UHFFFAOYSA-N
XLogP0.89
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate
CID 79036776
2-sulfanyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
CID 79237772
methyl 2-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoylamino]propanoate
CID 20964095
methyl N-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]carbamate
CID 43730207
(2S)-2-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 79236660
tert-butyl N-[(1,3,5-trimethylpyrazol-4-yl)methylamino]carbamate
CID 107236747
3,5-dimethoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 19282242
3,6-dichloro-2-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 110443051
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 115665281
methyl N-[4-[[[N'-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamimidoyl]amino]methyl]phenyl]carbamate;hydroiodide
CID 111952908
1-amino-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea
CID 79242122
5-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pentanamide
CID 79237251

Frequently Asked Questions

What is the IUPAC name of methyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate?
The IUPAC name of methyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate (CID 110731133) is methyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate.
What is the SMILES notation for methyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate?
The canonical SMILES for methyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate is COC(=O)NCc1c(C)nn(C)c1C.
What is the InChIKey of methyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate?
The InChIKey is MXFVVALKPIBBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6-8(5-10-9(13)14-4)7(2)12(3)11-6/h5H2,1-4H3,(H,10,13).
What are the key properties of methyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate?
methyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate has a molecular weight of 197.24 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate is sourced from PubChem (CID 110731133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).