4-bromo-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

C20H29BrN4O2 — CID 56564949

IUPAC4-bromo-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCCN(CC)CCOc1ccccc1CNC(=O)c1n[nH]c(C(C)C)c1Br
InChIInChI=1S/C20H29BrN4O2/c1-5-25(6-2)11-12-27-16-10-8-7-9-15(16)13-22-20(26)19-17(21)18(14(3)4)23-24-19/h7-10,14H,5-6,11-13H2,1-4H3,(H,22,26)(H,23,24)
InChIKeyIPEQAJDVNSZROW-UHFFFAOYSA-N
MW437.38 g/mol
LogP3.95
Rot. Bonds10

About 4-bromo-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

4-bromo-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 56564949) has the molecular formula C20H29BrN4O2 and a molecular weight of 437.38 g/mol. Its IUPAC name is 4-bromo-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID56564949
Molecular FormulaC20H29BrN4O2
Molecular Weight437.38 g/mol
Exact Mass436.15
IUPAC Name4-bromo-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCCN(CC)CCOc1ccccc1CNC(=O)c1n[nH]c(C(C)C)c1Br
InChIInChI=1S/C20H29BrN4O2/c1-5-25(6-2)11-12-27-16-10-8-7-9-15(16)13-22-20(26)19-17(21)18(14(3)4)23-24-19/h7-10,14H,5-6,11-13H2,1-4H3,(H,22,26)(H,23,24)
InChIKeyIPEQAJDVNSZROW-UHFFFAOYSA-N
XLogP3.95
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.38
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 56566997
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CID 119848384
2-amino-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide
CID 119946527
4-bromo-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56560077
4-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56560133
N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide
CID 46480012
4-bromo-N-(2-butoxyphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56566879
N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 60513558
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CID 119848368
1-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine
CID 111000561
N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 60513635
2-chloro-N-[1-[[2-[2-(diethylamino)ethoxy]phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55715360

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 56564949) is 4-bromo-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is CCN(CC)CCOc1ccccc1CNC(=O)c1n[nH]c(C(C)C)c1Br.
What is the InChIKey of 4-bromo-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is IPEQAJDVNSZROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29BrN4O2/c1-5-25(6-2)11-12-27-16-10-8-7-9-15(16)13-22-20(26)19-17(21)18(14(3)4)23-24-19/h7-10,14H,5-6,11-13H2,1-4H3,(H,22,26)(H,23,24).
What are the key properties of 4-bromo-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
4-bromo-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 437.38 g/mol, XLogP of 3.95, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56564949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).