methyl N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)carbamate

C11H12N4O2 — CID 134799813

IUPACmethyl N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)carbamate
SMILESCOC(=O)Nc1cc(-c2ccncc2)nn1C
InChIInChI=1S/C11H12N4O2/c1-15-10(13-11(16)17-2)7-9(14-15)8-3-5-12-6-4-8/h3-7H,1-2H3,(H,13,16)
InChIKeyGKJQKTVZDLAYRV-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.66
Rot. Bonds2

About methyl N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)carbamate

methyl N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)carbamate (PubChem CID 134799813) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is methyl N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)carbamate
PubChem CID134799813
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Namemethyl N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)carbamate
SMILESCOC(=O)Nc1cc(-c2ccncc2)nn1C
InChIInChI=1S/C11H12N4O2/c1-15-10(13-11(16)17-2)7-9(14-15)8-3-5-12-6-4-8/h3-7H,1-2H3,(H,13,16)
InChIKeyGKJQKTVZDLAYRV-UHFFFAOYSA-N
XLogP1.66
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)cyclopropanecarboxamide
CID 134797879
N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)butanamide
CID 134798763
(Z)-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)-3-pyridin-3-ylprop-2-enamide
CID 97377818
(3R)-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)piperidine-3-carboxamide
CID 138001539
methyl 2-[[1-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]acetate;dihydrochloride
CID 118105411
methyl N-(3-cyclopropyl-1-methylpyrazol-5-yl)carbamate
CID 134798076
ethyl N-[3-[4-(3,4-dimethylphenyl)phenyl]-1-methylpyrazol-5-yl]carbamate
CID 69397135
(2S)-2-amino-3-(3,4-difluorophenyl)-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)propanamide
CID 67496533
[(2S)-3-(4-fluorophenyl)-1-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)amino]-1-oxopropan-2-yl]carbamic acid
CID 67496659
5-(2-methylpropyl)-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)-2H-pyrrole-3-carboxamide
CID 158025515
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N'-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)oxamide
CID 97009575
N-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-N'-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)oxamide
CID 97017746

Frequently Asked Questions

What is the IUPAC name of methyl N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)carbamate?
The IUPAC name of methyl N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)carbamate (CID 134799813) is methyl N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)carbamate.
What is the SMILES notation for methyl N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)carbamate?
The canonical SMILES for methyl N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)carbamate is COC(=O)Nc1cc(-c2ccncc2)nn1C.
What is the InChIKey of methyl N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)carbamate?
The InChIKey is GKJQKTVZDLAYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-15-10(13-11(16)17-2)7-9(14-15)8-3-5-12-6-4-8/h3-7H,1-2H3,(H,13,16).
What are the key properties of methyl N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)carbamate?
methyl N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)carbamate has a molecular weight of 232.24 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)carbamate is sourced from PubChem (CID 134799813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).