1-(4-bromophenyl)-N-ethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide

C17H20BrN3O2 — CID 51124015

IUPAC1-(4-bromophenyl)-N-ethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide
SMILESCCN(CC1CCOC1)C(=O)c1cnn(-c2ccc(Br)cc2)c1
InChIInChI=1S/C17H20BrN3O2/c1-2-20(10-13-7-8-23-12-13)17(22)14-9-19-21(11-14)16-5-3-15(18)4-6-16/h3-6,9,11,13H,2,7-8,10,12H2,1H3
InChIKeyIINZNPSSWANQIA-UHFFFAOYSA-N
MW378.27 g/mol
LogP3.13
Rot. Bonds5

About 1-(4-bromophenyl)-N-ethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide

1-(4-bromophenyl)-N-ethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide (PubChem CID 51124015) has the molecular formula C17H20BrN3O2 and a molecular weight of 378.27 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-ethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-ethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide
PubChem CID51124015
Molecular FormulaC17H20BrN3O2
Molecular Weight378.27 g/mol
Exact Mass377.07
IUPAC Name1-(4-bromophenyl)-N-ethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide
SMILESCCN(CC1CCOC1)C(=O)c1cnn(-c2ccc(Br)cc2)c1
InChIInChI=1S/C17H20BrN3O2/c1-2-20(10-13-7-8-23-12-13)17(22)14-9-19-21(11-14)16-5-3-15(18)4-6-16/h3-6,9,11,13H,2,7-8,10,12H2,1H3
InChIKeyIINZNPSSWANQIA-UHFFFAOYSA-N
XLogP3.13
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-(4-bromophenyl)pyrazole-4-carbonyl]-ethylamino]propanoic acid
CID 119190871
3-bromo-N-ethyl-5-methyl-N-(oxolan-3-ylmethyl)benzamide
CID 104852419
3-bromo-N-ethyl-4-fluoro-N-(oxolan-3-ylmethyl)benzamide
CID 103707104
1-(4-bromophenyl)-N,N-bis(cyanomethyl)pyrazole-4-carboxamide
CID 60612707
4-(dimethylsulfamoyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]benzamide
CID 94805874
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]benzamide
CID 95283465
N-ethyl-2-iodo-3-methyl-N-(oxolan-3-ylmethyl)benzamide
CID 113223582
3-amino-4-(dimethylamino)-N-ethyl-N-(oxolan-3-ylmethyl)benzamide
CID 61114252
N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-6-phenylmethoxypyridine-3-carboxamide
CID 95276771
2-[ethyl-(1-phenylpyrazole-4-carbonyl)amino]acetic acid
CID 61022217
3,6-dichloro-N-ethyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide
CID 61051779
3-amino-N-ethyl-4-methoxy-N-(oxolan-3-ylmethyl)benzamide
CID 61115387

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-ethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-ethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide (CID 51124015) is 1-(4-bromophenyl)-N-ethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-ethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-ethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide is CCN(CC1CCOC1)C(=O)c1cnn(-c2ccc(Br)cc2)c1.
What is the InChIKey of 1-(4-bromophenyl)-N-ethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is IINZNPSSWANQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O2/c1-2-20(10-13-7-8-23-12-13)17(22)14-9-19-21(11-14)16-5-3-15(18)4-6-16/h3-6,9,11,13H,2,7-8,10,12H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N-ethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide?
1-(4-bromophenyl)-N-ethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 378.27 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-ethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 51124015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).