2-(4-bromo-3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide

C12H18BrN3O2 — CID 19533299

IUPAC2-(4-bromo-3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide
SMILESCc1nn(C(C)C(=O)NCC2CCCO2)cc1Br
InChIInChI=1S/C12H18BrN3O2/c1-8-11(13)7-16(15-8)9(2)12(17)14-6-10-4-3-5-18-10/h7,9-10H,3-6H2,1-2H3,(H,14,17)
InChIKeyRZDUUHFDYIFNGK-UHFFFAOYSA-N
MW316.20 g/mol
LogP1.81
Rot. Bonds4

About 2-(4-bromo-3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide

2-(4-bromo-3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 19533299) has the molecular formula C12H18BrN3O2 and a molecular weight of 316.20 g/mol. Its IUPAC name is 2-(4-bromo-3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide
PubChem CID19533299
Molecular FormulaC12H18BrN3O2
Molecular Weight316.20 g/mol
Exact Mass315.06
IUPAC Name2-(4-bromo-3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide
SMILESCc1nn(C(C)C(=O)NCC2CCCO2)cc1Br
InChIInChI=1S/C12H18BrN3O2/c1-8-11(13)7-16(15-8)9(2)12(17)14-6-10-4-3-5-18-10/h7,9-10H,3-6H2,1-2H3,(H,14,17)
InChIKeyRZDUUHFDYIFNGK-UHFFFAOYSA-N
XLogP1.81
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2,5-dioxopyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 17034856
(2S)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 95305228
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
(2R)-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 124737381
2-(4-bromo-3-methylpyrazol-1-yl)-N-morpholin-4-ylpropanamide
CID 19575310
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 776917
2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 3128939
2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 24697469
(2S)-2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 61145996
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 19532088
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 122278741
(2R)-2-[(1S,2R,6S,7S,8R,9S)-8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 98142855

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 2-(4-bromo-3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide (CID 19533299) is 2-(4-bromo-3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(4-bromo-3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 2-(4-bromo-3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide is Cc1nn(C(C)C(=O)NCC2CCCO2)cc1Br.
What is the InChIKey of 2-(4-bromo-3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is RZDUUHFDYIFNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O2/c1-8-11(13)7-16(15-8)9(2)12(17)14-6-10-4-3-5-18-10/h7,9-10H,3-6H2,1-2H3,(H,14,17).
What are the key properties of 2-(4-bromo-3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide?
2-(4-bromo-3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 316.20 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 19533299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).