methyl N-[3-(1-methylpyrazol-4-yl)phenyl]carbamate

C12H13N3O2 — CID 110477766

IUPACmethyl N-[3-(1-methylpyrazol-4-yl)phenyl]carbamate
SMILESCOC(=O)Nc1cccc(-c2cnn(C)c2)c1
InChIInChI=1S/C12H13N3O2/c1-15-8-10(7-13-15)9-4-3-5-11(6-9)14-12(16)17-2/h3-8H,1-2H3,(H,14,16)
InChIKeyCUCJHLHWKABVLK-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.27
Rot. Bonds2

About methyl N-[3-(1-methylpyrazol-4-yl)phenyl]carbamate

methyl N-[3-(1-methylpyrazol-4-yl)phenyl]carbamate (PubChem CID 110477766) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is methyl N-[3-(1-methylpyrazol-4-yl)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-(1-methylpyrazol-4-yl)phenyl]carbamate
PubChem CID110477766
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Namemethyl N-[3-(1-methylpyrazol-4-yl)phenyl]carbamate
SMILESCOC(=O)Nc1cccc(-c2cnn(C)c2)c1
InChIInChI=1S/C12H13N3O2/c1-15-8-10(7-13-15)9-4-3-5-11(6-9)14-12(16)17-2/h3-8H,1-2H3,(H,14,16)
InChIKeyCUCJHLHWKABVLK-UHFFFAOYSA-N
XLogP2.27
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1-methylpyrazol-4-yl)phenyl]-3-oxobutanamide
CID 110477397
N-[3-(1-methylpyrazol-4-yl)phenyl]pyridine-4-carboxamide
CID 110482049
(E)-N-[3-(1-methylpyrazol-4-yl)phenyl]but-2-enamide
CID 110478051
N-methyl-3-(1-methylpyrazol-4-yl)aniline
CID 106505763
4-amino-N-[3-(1-methylpyrazol-4-yl)phenyl]butanamide
CID 110479939
N-[3-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 110480979
3-(1-methylpyrazol-4-yl)-N-pyridin-4-ylbenzamide
CID 110486276
N-[3-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]acetamide
CID 154687718
methyl N-[3-[(1-methylpyrazol-4-yl)sulfonylcarbamoyl]phenyl]carbamate
CID 56801259
3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 169417027
tert-butyl N-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]carbamate
CID 146267007
[3-(1-methylpyrazol-4-yl)phenyl]boronic acid
CID 130118340

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-(1-methylpyrazol-4-yl)phenyl]carbamate?
The IUPAC name of methyl N-[3-(1-methylpyrazol-4-yl)phenyl]carbamate (CID 110477766) is methyl N-[3-(1-methylpyrazol-4-yl)phenyl]carbamate.
What is the SMILES notation for methyl N-[3-(1-methylpyrazol-4-yl)phenyl]carbamate?
The canonical SMILES for methyl N-[3-(1-methylpyrazol-4-yl)phenyl]carbamate is COC(=O)Nc1cccc(-c2cnn(C)c2)c1.
What is the InChIKey of methyl N-[3-(1-methylpyrazol-4-yl)phenyl]carbamate?
The InChIKey is CUCJHLHWKABVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-15-8-10(7-13-15)9-4-3-5-11(6-9)14-12(16)17-2/h3-8H,1-2H3,(H,14,16).
What are the key properties of methyl N-[3-(1-methylpyrazol-4-yl)phenyl]carbamate?
methyl N-[3-(1-methylpyrazol-4-yl)phenyl]carbamate has a molecular weight of 231.25 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-(1-methylpyrazol-4-yl)phenyl]carbamate is sourced from PubChem (CID 110477766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).