N-[1-(2-bromophenyl)pyrazol-4-yl]-2,2-dimethyl-3-methylsulfanylpropanamide

C15H18BrN3OS — CID 146083214

IUPACN-[1-(2-bromophenyl)pyrazol-4-yl]-2,2-dimethyl-3-methylsulfanylpropanamide
SMILESCSCC(C)(C)C(=O)Nc1cnn(-c2ccccc2Br)c1
InChIInChI=1S/C15H18BrN3OS/c1-15(2,10-21-3)14(20)18-11-8-17-19(9-11)13-7-5-4-6-12(13)16/h4-9H,10H2,1-3H3,(H,18,20)
InChIKeySYWFLSDBBKWLMD-UHFFFAOYSA-N
MW368.30 g/mol
LogP3.96
Rot. Bonds5

About N-[1-(2-bromophenyl)pyrazol-4-yl]-2,2-dimethyl-3-methylsulfanylpropanamide

N-[1-(2-bromophenyl)pyrazol-4-yl]-2,2-dimethyl-3-methylsulfanylpropanamide (PubChem CID 146083214) has the molecular formula C15H18BrN3OS and a molecular weight of 368.30 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)pyrazol-4-yl]-2,2-dimethyl-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)pyrazol-4-yl]-2,2-dimethyl-3-methylsulfanylpropanamide
PubChem CID146083214
Molecular FormulaC15H18BrN3OS
Molecular Weight368.30 g/mol
Exact Mass367.04
IUPAC NameN-[1-(2-bromophenyl)pyrazol-4-yl]-2,2-dimethyl-3-methylsulfanylpropanamide
SMILESCSCC(C)(C)C(=O)Nc1cnn(-c2ccccc2Br)c1
InChIInChI=1S/C15H18BrN3OS/c1-15(2,10-21-3)14(20)18-11-8-17-19(9-11)13-7-5-4-6-12(13)16/h4-9H,10H2,1-3H3,(H,18,20)
InChIKeySYWFLSDBBKWLMD-UHFFFAOYSA-N
XLogP3.96
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-bromophenyl)pyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 71909338
N-[1-(2-bromophenyl)pyrazol-4-yl]-3-methylfuran-2-carboxamide
CID 99700244
N-[1-(2-bromophenyl)pyrazol-4-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 99700226
2-[[1-(2-bromophenyl)pyrazol-4-yl]amino]-N-prop-2-ynylpropanamide
CID 86802645
2-[4-(methylamino)pyrazol-1-yl]phenol
CID 83877134
N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]benzamide
CID 56782351
N-[1-(2-chlorophenyl)pyrazol-4-yl]pyrazine-2-carboxamide
CID 56782231
1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(3-hydroxypropyl)urea
CID 111458977
1-(4-hydroxy-2-methylbutan-2-yl)-3-(1-phenylpyrazol-4-yl)urea
CID 111926533
(2S)-2-amino-3,3-dimethyl-N-(1-phenylpyrazol-4-yl)butanamide
CID 119753020
5-bromo-N-(1-phenylpyrazol-4-yl)pyridine-2-carboxamide
CID 99816223
6-methyl-N-(1-phenylpyrazol-4-yl)pyridine-2-carboxamide
CID 110472220

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)pyrazol-4-yl]-2,2-dimethyl-3-methylsulfanylpropanamide?
The IUPAC name of N-[1-(2-bromophenyl)pyrazol-4-yl]-2,2-dimethyl-3-methylsulfanylpropanamide (CID 146083214) is N-[1-(2-bromophenyl)pyrazol-4-yl]-2,2-dimethyl-3-methylsulfanylpropanamide.
What is the SMILES notation for N-[1-(2-bromophenyl)pyrazol-4-yl]-2,2-dimethyl-3-methylsulfanylpropanamide?
The canonical SMILES for N-[1-(2-bromophenyl)pyrazol-4-yl]-2,2-dimethyl-3-methylsulfanylpropanamide is CSCC(C)(C)C(=O)Nc1cnn(-c2ccccc2Br)c1.
What is the InChIKey of N-[1-(2-bromophenyl)pyrazol-4-yl]-2,2-dimethyl-3-methylsulfanylpropanamide?
The InChIKey is SYWFLSDBBKWLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3OS/c1-15(2,10-21-3)14(20)18-11-8-17-19(9-11)13-7-5-4-6-12(13)16/h4-9H,10H2,1-3H3,(H,18,20).
What are the key properties of N-[1-(2-bromophenyl)pyrazol-4-yl]-2,2-dimethyl-3-methylsulfanylpropanamide?
N-[1-(2-bromophenyl)pyrazol-4-yl]-2,2-dimethyl-3-methylsulfanylpropanamide has a molecular weight of 368.30 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)pyrazol-4-yl]-2,2-dimethyl-3-methylsulfanylpropanamide is sourced from PubChem (CID 146083214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).