4-bromo-N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

C18H24BrFN4O — CID 56562661

IUPAC4-bromo-N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)N(CCN(C)C)Cc2ccccc2F)c1Br
InChIInChI=1S/C18H24BrFN4O/c1-12(2)16-15(19)17(22-21-16)18(25)24(10-9-23(3)4)11-13-7-5-6-8-14(13)20/h5-8,12H,9-11H2,1-4H3,(H,21,22)
InChIKeyPEEVJBGBDYRZJK-UHFFFAOYSA-N
MW411.32 g/mol
LogP3.64
Rot. Bonds7

About 4-bromo-N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

4-bromo-N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 56562661) has the molecular formula C18H24BrFN4O and a molecular weight of 411.32 g/mol. Its IUPAC name is 4-bromo-N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID56562661
Molecular FormulaC18H24BrFN4O
Molecular Weight411.32 g/mol
Exact Mass410.11
IUPAC Name4-bromo-N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)N(CCN(C)C)Cc2ccccc2F)c1Br
InChIInChI=1S/C18H24BrFN4O/c1-12(2)16-15(19)17(22-21-16)18(25)24(10-9-23(3)4)11-13-7-5-6-8-14(13)20/h5-8,12H,9-11H2,1-4H3,(H,21,22)
InChIKeyPEEVJBGBDYRZJK-UHFFFAOYSA-N
XLogP3.64
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.32
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide 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

N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]acetamide
CID 60559227
N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]butanamide
CID 55980382
4-bromo-N-ethyl-5-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 56563157
N-benzyl-4-bromo-5-propan-2-yl-N-prop-2-enyl-1H-pyrazole-3-carboxamide
CID 56563826
N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 110245433
4-bromo-N-[4-(N-methylanilino)butyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56567094
3-[1-(2,4-difluorophenyl)ethyl]-1-[2-(dimethylamino)ethyl]-1-[(2-fluorophenyl)methyl]urea
CID 55925361
4-bromo-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56564681
(E)-N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-3-phenylprop-2-enamide
CID 52726416
4-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56560133
4-bromo-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56560077
1-[2-(dimethylamino)ethyl]-3-[1-(dimethylamino)-3-phenylpropan-2-yl]-1-[(2-fluorophenyl)methyl]urea
CID 55931099

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 56562661) is 4-bromo-N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is CC(C)c1[nH]nc(C(=O)N(CCN(C)C)Cc2ccccc2F)c1Br.
What is the InChIKey of 4-bromo-N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is PEEVJBGBDYRZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrFN4O/c1-12(2)16-15(19)17(22-21-16)18(25)24(10-9-23(3)4)11-13-7-5-6-8-14(13)20/h5-8,12H,9-11H2,1-4H3,(H,21,22).
What are the key properties of 4-bromo-N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
4-bromo-N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 411.32 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56562661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).