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

C18H19BrFN5O — CID 19411218

IUPAC3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
SMILESCc1cc(NC(=O)CCn2ncc(Br)c2C)nn1Cc1ccccc1F
InChIInChI=1S/C18H19BrFN5O/c1-12-9-17(23-25(12)11-14-5-3-4-6-16(14)20)22-18(26)7-8-24-13(2)15(19)10-21-24/h3-6,9-10H,7-8,11H2,1-2H3,(H,22,23,26)
InChIKeyJLSWVXCTPIDGQN-UHFFFAOYSA-N
MW420.29 g/mol
LogP3.68
Rot. Bonds6

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

3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide (PubChem CID 19411218) has the molecular formula C18H19BrFN5O and a molecular weight of 420.29 g/mol. Its IUPAC name is 3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide.

Molecular Properties

Compound Name3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
PubChem CID19411218
Molecular FormulaC18H19BrFN5O
Molecular Weight420.29 g/mol
Exact Mass419.08
IUPAC Name3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
SMILESCc1cc(NC(=O)CCn2ncc(Br)c2C)nn1Cc1ccccc1F
InChIInChI=1S/C18H19BrFN5O/c1-12-9-17(23-25(12)11-14-5-3-4-6-16(14)20)22-18(26)7-8-24-13(2)15(19)10-21-24/h3-6,9-10H,7-8,11H2,1-2H3,(H,22,23,26)
InChIKeyJLSWVXCTPIDGQN-UHFFFAOYSA-N
XLogP3.68
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.29
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
CID 19411187
5-[[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19494380
N-(1-benzylpyrazol-3-yl)-3-(4-bromo-5-methylpyrazol-1-yl)propanamide
CID 19286226
1-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-3-methylthiourea
CID 19403474
N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-2,6-dimethoxybenzamide
CID 19411298
N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
CID 19552154
N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-bromo-5-methylpyrazol-1-yl)propanamide
CID 19570225
N-(1-benzyl-5-methylpyrazol-3-yl)-3-(5-methyl-4-nitropyrazol-1-yl)propanamide
CID 19337548
N-(4-acetamidophenyl)-3-(4-bromo-5-methylpyrazol-1-yl)propanamide
CID 19570101
3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propanamide
CID 19541585
3-(4-bromo-5-methylpyrazol-1-yl)-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19402044
N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-bromo-5-methylpyrazol-1-yl)propanamide
CID 19347272

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide?
The IUPAC name of 3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide (CID 19411218) is 3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide.
What is the SMILES notation for 3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide?
The canonical SMILES for 3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide is Cc1cc(NC(=O)CCn2ncc(Br)c2C)nn1Cc1ccccc1F.
What is the InChIKey of 3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide?
The InChIKey is JLSWVXCTPIDGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFN5O/c1-12-9-17(23-25(12)11-14-5-3-4-6-16(14)20)22-18(26)7-8-24-13(2)15(19)10-21-24/h3-6,9-10H,7-8,11H2,1-2H3,(H,22,23,26).
What are the key properties of 3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide?
3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide has a molecular weight of 420.29 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide is sourced from PubChem (CID 19411218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).