1-(3-bromophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide

C15H17BrN4O — CID 119554751

IUPAC1-(3-bromophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide
SMILESCN(C(=O)c1ccn(-c2cccc(Br)c2)n1)C1CCNC1
InChIInChI=1S/C15H17BrN4O/c1-19(13-5-7-17-10-13)15(21)14-6-8-20(18-14)12-4-2-3-11(16)9-12/h2-4,6,8-9,13,17H,5,7,10H2,1H3
InChIKeySSYDSOXUQCVPRY-UHFFFAOYSA-N
MW349.23 g/mol
LogP2.07
Rot. Bonds3

About 1-(3-bromophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide

1-(3-bromophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide (PubChem CID 119554751) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide
PubChem CID119554751
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC Name1-(3-bromophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide
SMILESCN(C(=O)c1ccn(-c2cccc(Br)c2)n1)C1CCNC1
InChIInChI=1S/C15H17BrN4O/c1-19(13-5-7-17-10-13)15(21)14-6-8-20(18-14)12-4-2-3-11(16)9-12/h2-4,6,8-9,13,17H,5,7,10H2,1H3
InChIKeySSYDSOXUQCVPRY-UHFFFAOYSA-N
XLogP2.07
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(3-nitrophenyl)-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
CID 119552733
1-(3-bromophenyl)-N-piperidin-4-ylpyrazole-3-carboxamide
CID 119390442
N-methyl-N-pyrrolidin-3-yl-3-(tetrazol-1-yl)benzamide
CID 119551937
6-(3-bromophenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide
CID 119551708
2,4-dibromo-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 114018493
N,1-dimethyl-N-piperidin-4-ylpyrazole-3-carboxamide
CID 103120629
[1-(3-bromophenyl)pyrazol-3-yl]-(1,4-diazepan-1-yl)methanone
CID 119418755
1-(3-bromophenyl)-N-(3-piperazin-1-ylpropyl)pyrazole-3-carboxamide
CID 119394563
2-[[1-(3-bromophenyl)pyrazole-3-carbonyl]-(2-methoxyethyl)amino]acetic acid
CID 119189688
2-(3-chlorophenyl)-N,5-dimethyl-N-[(3S)-pyrrolidin-3-yl]triazole-4-carboxamide
CID 124613688
2-(3-chlorophenyl)-N,5-dimethyl-N-[(3R)-pyrrolidin-3-yl]triazole-4-carboxamide
CID 124613687
N-methyl-N-piperidin-4-yl-4-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride
CID 119441469

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide (CID 119554751) is 1-(3-bromophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide is CN(C(=O)c1ccn(-c2cccc(Br)c2)n1)C1CCNC1.
What is the InChIKey of 1-(3-bromophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide?
The InChIKey is SSYDSOXUQCVPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O/c1-19(13-5-7-17-10-13)15(21)14-6-8-20(18-14)12-4-2-3-11(16)9-12/h2-4,6,8-9,13,17H,5,7,10H2,1H3.
What are the key properties of 1-(3-bromophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide?
1-(3-bromophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide is sourced from PubChem (CID 119554751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).