2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide

C19H20BrClFN5O — CID 19339320

IUPAC2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
SMILESCc1nn(C(C)C(=O)Nc2cc(C)n(Cc3c(F)cccc3Cl)n2)c(C)c1Br
InChIInChI=1S/C19H20BrClFN5O/c1-10-8-17(25-26(10)9-14-15(21)6-5-7-16(14)22)23-19(28)13(4)27-12(3)18(20)11(2)24-27/h5-8,13H,9H2,1-4H3,(H,23,25,28)
InChIKeyTZLFKKCXEDHGGQ-UHFFFAOYSA-N
MW468.76 g/mol
LogP4.81
Rot. Bonds5

About 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide

2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide (PubChem CID 19339320) has the molecular formula C19H20BrClFN5O and a molecular weight of 468.76 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
PubChem CID19339320
Molecular FormulaC19H20BrClFN5O
Molecular Weight468.76 g/mol
Exact Mass467.05
IUPAC Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
SMILESCc1nn(C(C)C(=O)Nc2cc(C)n(Cc3c(F)cccc3Cl)n2)c(C)c1Br
InChIInChI=1S/C19H20BrClFN5O/c1-10-8-17(25-26(10)9-14-15(21)6-5-7-16(14)22)23-19(28)13(4)27-12(3)18(20)11(2)24-27/h5-8,13H,9H2,1-4H3,(H,23,25,28)
InChIKeyTZLFKKCXEDHGGQ-UHFFFAOYSA-N
XLogP4.81
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.76
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
CID 19337356
N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]cyclopropanecarboxamide
CID 19335415
N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-3-phenylpropanamide
CID 19335401
1-butan-2-yl-3-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]thiourea
CID 19403800
N-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19393783
N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-2,5-dimethylbenzamide
CID 19339288
N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide
CID 19559984
2-[3-[[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19501943
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19287684
N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
CID 19339660
1-[2-[[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]amino]-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502775
N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide
CID 19339215

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide?
The IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide (CID 19339320) is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide?
The canonical SMILES for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide is Cc1nn(C(C)C(=O)Nc2cc(C)n(Cc3c(F)cccc3Cl)n2)c(C)c1Br.
What is the InChIKey of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide?
The InChIKey is TZLFKKCXEDHGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrClFN5O/c1-10-8-17(25-26(10)9-14-15(21)6-5-7-16(14)22)23-19(28)13(4)27-12(3)18(20)11(2)24-27/h5-8,13H,9H2,1-4H3,(H,23,25,28).
What are the key properties of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide?
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide has a molecular weight of 468.76 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide is sourced from PubChem (CID 19339320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).