2-bromo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide

C11H16BrN3O2 — CID 107903884

IUPAC2-bromo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide
SMILESCC(Br)C(=O)Nc1cnn(CC2CCCO2)c1
InChIInChI=1S/C11H16BrN3O2/c1-8(12)11(16)14-9-5-13-15(6-9)7-10-3-2-4-17-10/h5-6,8,10H,2-4,7H2,1H3,(H,14,16)
InChIKeyGYKIBIZWTAIWCI-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.78
Rot. Bonds4

About 2-bromo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide

2-bromo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide (PubChem CID 107903884) has the molecular formula C11H16BrN3O2 and a molecular weight of 302.17 g/mol. Its IUPAC name is 2-bromo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name2-bromo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide
PubChem CID107903884
Molecular FormulaC11H16BrN3O2
Molecular Weight302.17 g/mol
Exact Mass301.04
IUPAC Name2-bromo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide
SMILESCC(Br)C(=O)Nc1cnn(CC2CCCO2)c1
InChIInChI=1S/C11H16BrN3O2/c1-8(12)11(16)14-9-5-13-15(6-9)7-10-3-2-4-17-10/h5-6,8,10H,2-4,7H2,1H3,(H,14,16)
InChIKeyGYKIBIZWTAIWCI-UHFFFAOYSA-N
XLogP1.78
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(ethylamino)-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide
CID 62851309
2-amino-3,3-dimethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide
CID 76887991
1-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-3-propan-2-ylurea
CID 121145347
2-amino-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanediamide
CID 60849618
N-butan-2-yl-2-[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]carbamoylamino]propanamide
CID 86863097
N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]prop-2-enamide
CID 129365474
1-(dicyclopropylmethyl)-3-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]urea
CID 96561422
tert-butyl N-[(2S)-1-[[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]amino]-1-oxopropan-2-yl]carbamate
CID 129356138
4-(methylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide
CID 60842431
1-methoxy-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 75393767
(2S)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-2-phenylbutanamide
CID 129354476
2-(cyclopropylmethylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 60867277

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide?
The IUPAC name of 2-bromo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide (CID 107903884) is 2-bromo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide.
What is the SMILES notation for 2-bromo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide?
The canonical SMILES for 2-bromo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide is CC(Br)C(=O)Nc1cnn(CC2CCCO2)c1.
What is the InChIKey of 2-bromo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide?
The InChIKey is GYKIBIZWTAIWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2/c1-8(12)11(16)14-9-5-13-15(6-9)7-10-3-2-4-17-10/h5-6,8,10H,2-4,7H2,1H3,(H,14,16).
What are the key properties of 2-bromo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide?
2-bromo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide has a molecular weight of 302.17 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide is sourced from PubChem (CID 107903884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).