4-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

C16H18BrF2N3O2 — CID 56563120

IUPAC4-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)NC(C)c2cccc(OC(F)F)c2)c1Br
InChIInChI=1S/C16H18BrF2N3O2/c1-8(2)13-12(17)14(22-21-13)15(23)20-9(3)10-5-4-6-11(7-10)24-16(18)19/h4-9,16H,1-3H3,(H,20,23)(H,21,22)
InChIKeyFMNCAVVYMDCWOZ-UHFFFAOYSA-N
MW402.24 g/mol
LogP4.39
Rot. Bonds6

About 4-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

4-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 56563120) has the molecular formula C16H18BrF2N3O2 and a molecular weight of 402.24 g/mol. Its IUPAC name is 4-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID56563120
Molecular FormulaC16H18BrF2N3O2
Molecular Weight402.24 g/mol
Exact Mass401.06
IUPAC Name4-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)NC(C)c2cccc(OC(F)F)c2)c1Br
InChIInChI=1S/C16H18BrF2N3O2/c1-8(2)13-12(17)14(22-21-13)15(23)20-9(3)10-5-4-6-11(7-10)24-16(18)19/h4-9,16H,1-3H3,(H,20,23)(H,21,22)
InChIKeyFMNCAVVYMDCWOZ-UHFFFAOYSA-N
XLogP4.39
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.24
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-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

3-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-fluorobenzamide
CID 55710254
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylfuran-3-carboxamide
CID 42961734
4-amino-N-[1-(3-fluorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62076746
4-bromo-5-propan-2-yl-N-(2,2,2-trifluoro-1-phenylethyl)-1H-pyrazole-3-carboxamide
CID 56583007
4-bromo-5-propan-2-yl-N-[(3-propan-2-yloxyphenyl)methyl]-1H-pyrazole-3-carboxamide
CID 86897012
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 63048536
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 60513620
4-bromo-5-propan-2-yl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-1H-pyrazole-3-carboxamide
CID 56567640
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,5-dimethylbenzamide
CID 42961731
2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 62789080
N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-3-methylbut-2-enamide
CID 94117441
N-[1-[3-(difluoromethoxy)phenyl]ethyl]but-2-enamide
CID 112727974

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 56563120) is 4-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is CC(C)c1[nH]nc(C(=O)NC(C)c2cccc(OC(F)F)c2)c1Br.
What is the InChIKey of 4-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is FMNCAVVYMDCWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrF2N3O2/c1-8(2)13-12(17)14(22-21-13)15(23)20-9(3)10-5-4-6-11(7-10)24-16(18)19/h4-9,16H,1-3H3,(H,20,23)(H,21,22).
What are the key properties of 4-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
4-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 402.24 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56563120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).