(2R)-3-(4-bromopyrazol-1-yl)-N-(3-chloro-2-methylphenyl)-2-methylpropanamide

C14H15BrClN3O — CID 35529843

IUPAC(2R)-3-(4-bromopyrazol-1-yl)-N-(3-chloro-2-methylphenyl)-2-methylpropanamide
SMILESCc1c(Cl)cccc1NC(=O)[C@H](C)Cn1cc(Br)cn1
InChIInChI=1S/C14H15BrClN3O/c1-9(7-19-8-11(15)6-17-19)14(20)18-13-5-3-4-12(16)10(13)2/h3-6,8-9H,7H2,1-2H3,(H,18,20)/t9-/m1/s1
InChIKeyIRMLFZUCKGXKMT-SECBINFHSA-N
MW356.65 g/mol
LogP3.88
Rot. Bonds4

About (2R)-3-(4-bromopyrazol-1-yl)-N-(3-chloro-2-methylphenyl)-2-methylpropanamide

(2R)-3-(4-bromopyrazol-1-yl)-N-(3-chloro-2-methylphenyl)-2-methylpropanamide (PubChem CID 35529843) has the molecular formula C14H15BrClN3O and a molecular weight of 356.65 g/mol. Its IUPAC name is (2R)-3-(4-bromopyrazol-1-yl)-N-(3-chloro-2-methylphenyl)-2-methylpropanamide.

Molecular Properties

Compound Name(2R)-3-(4-bromopyrazol-1-yl)-N-(3-chloro-2-methylphenyl)-2-methylpropanamide
PubChem CID35529843
Molecular FormulaC14H15BrClN3O
Molecular Weight356.65 g/mol
Exact Mass355.01
IUPAC Name(2R)-3-(4-bromopyrazol-1-yl)-N-(3-chloro-2-methylphenyl)-2-methylpropanamide
SMILESCc1c(Cl)cccc1NC(=O)[C@H](C)Cn1cc(Br)cn1
InChIInChI=1S/C14H15BrClN3O/c1-9(7-19-8-11(15)6-17-19)14(20)18-13-5-3-4-12(16)10(13)2/h3-6,8-9H,7H2,1-2H3,(H,18,20)/t9-/m1/s1
InChIKeyIRMLFZUCKGXKMT-SECBINFHSA-N
XLogP3.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.65
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-bromopyrazol-1-yl)methyl]-N-(3-chloro-2-methylphenyl)pyrazole-3-carboxamide
CID 19271635
3-(4-bromopyrazol-1-yl)-2-methyl-N-(4-methyl-2-nitrophenyl)propanamide
CID 19564609
3-(4-bromopyrazol-1-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 4865431
3-(4-bromopyrazol-1-yl)-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-2-methylpropanamide
CID 19566294
3-(4-bromopyrazol-1-yl)-N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide
CID 19566282
N-(3-chloro-2-methylphenyl)-2-methylbutanediamide
CID 82120222
N-(3-chloro-2-methylphenyl)-2-methylpropanamide
CID 2057455
(2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 51391219
(2S)-3-(4-bromopyrazol-1-yl)-2-methyl-N-(1-methylbenzimidazol-2-yl)propanamide
CID 35528025
(2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-(1-methylbenzimidazol-2-yl)propanamide
CID 35528028
3-(4-bromopyrazol-1-yl)-N-butan-2-yl-2-methylpropanamide
CID 19564677
methyl 4-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-1-ethylpyrazole-3-carboxylate
CID 19566285

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-bromopyrazol-1-yl)-N-(3-chloro-2-methylphenyl)-2-methylpropanamide?
The IUPAC name of (2R)-3-(4-bromopyrazol-1-yl)-N-(3-chloro-2-methylphenyl)-2-methylpropanamide (CID 35529843) is (2R)-3-(4-bromopyrazol-1-yl)-N-(3-chloro-2-methylphenyl)-2-methylpropanamide.
What is the SMILES notation for (2R)-3-(4-bromopyrazol-1-yl)-N-(3-chloro-2-methylphenyl)-2-methylpropanamide?
The canonical SMILES for (2R)-3-(4-bromopyrazol-1-yl)-N-(3-chloro-2-methylphenyl)-2-methylpropanamide is Cc1c(Cl)cccc1NC(=O)[C@H](C)Cn1cc(Br)cn1.
What is the InChIKey of (2R)-3-(4-bromopyrazol-1-yl)-N-(3-chloro-2-methylphenyl)-2-methylpropanamide?
The InChIKey is IRMLFZUCKGXKMT-SECBINFHSA-N. The full InChI is InChI=1S/C14H15BrClN3O/c1-9(7-19-8-11(15)6-17-19)14(20)18-13-5-3-4-12(16)10(13)2/h3-6,8-9H,7H2,1-2H3,(H,18,20)/t9-/m1/s1.
What are the key properties of (2R)-3-(4-bromopyrazol-1-yl)-N-(3-chloro-2-methylphenyl)-2-methylpropanamide?
(2R)-3-(4-bromopyrazol-1-yl)-N-(3-chloro-2-methylphenyl)-2-methylpropanamide has a molecular weight of 356.65 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-bromopyrazol-1-yl)-N-(3-chloro-2-methylphenyl)-2-methylpropanamide is sourced from PubChem (CID 35529843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).