3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-2-methylpropanamide

C19H21BrClN5O — CID 19564336

IUPAC3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-2-methylpropanamide
SMILESCc1nn(CC(C)C(=O)Nc2cccc(Cn3cc(Cl)cn3)c2)c(C)c1Br
InChIInChI=1S/C19H21BrClN5O/c1-12(9-26-14(3)18(20)13(2)24-26)19(27)23-17-6-4-5-15(7-17)10-25-11-16(21)8-22-25/h4-8,11-12H,9-10H2,1-3H3,(H,23,27)
InChIKeyBJYUJQLIZBELCP-UHFFFAOYSA-N
MW450.77 g/mol
LogP4.44
Rot. Bonds6

About 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-2-methylpropanamide

3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-2-methylpropanamide (PubChem CID 19564336) has the molecular formula C19H21BrClN5O and a molecular weight of 450.77 g/mol. Its IUPAC name is 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-2-methylpropanamide
PubChem CID19564336
Molecular FormulaC19H21BrClN5O
Molecular Weight450.77 g/mol
Exact Mass449.06
IUPAC Name3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-2-methylpropanamide
SMILESCc1nn(CC(C)C(=O)Nc2cccc(Cn3cc(Cl)cn3)c2)c(C)c1Br
InChIInChI=1S/C19H21BrClN5O/c1-12(9-26-14(3)18(20)13(2)24-26)19(27)23-17-6-4-5-15(7-17)10-25-11-16(21)8-22-25/h4-8,11-12H,9-10H2,1-3H3,(H,23,27)
InChIKeyBJYUJQLIZBELCP-UHFFFAOYSA-N
XLogP4.44
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.77
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 19564335
N-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-methyl-3-(4-nitropyrazol-1-yl)propanamide
CID 19562518
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-chloro-4-fluorophenyl)-2-methylpropanamide
CID 4865030
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propanamide
CID 19564238
N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
CID 19472126
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide
CID 19568648
3-(4-chloropyrazol-1-yl)-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropanamide
CID 19570438
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-methylpropanamide
CID 19564400
3-(4-bromo-3-methylpyrazol-1-yl)-N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]propanamide
CID 19565652
1-[1-[3-[(4-chloropyrazol-1-yl)methyl]anilino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19506189
N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 19474875
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropanamide
CID 19564218

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-2-methylpropanamide?
The IUPAC name of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-2-methylpropanamide (CID 19564336) is 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-2-methylpropanamide?
The canonical SMILES for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-2-methylpropanamide is Cc1nn(CC(C)C(=O)Nc2cccc(Cn3cc(Cl)cn3)c2)c(C)c1Br.
What is the InChIKey of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-2-methylpropanamide?
The InChIKey is BJYUJQLIZBELCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrClN5O/c1-12(9-26-14(3)18(20)13(2)24-26)19(27)23-17-6-4-5-15(7-17)10-25-11-16(21)8-22-25/h4-8,11-12H,9-10H2,1-3H3,(H,23,27).
What are the key properties of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-2-methylpropanamide?
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-2-methylpropanamide has a molecular weight of 450.77 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 19564336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).