3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-ethylbenzamide

C18H26N4O — CID 162276236

IUPAC3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-ethylbenzamide
SMILESCCCCN(C)Cc1cn[nH]c1-c1cccc(C(=O)NCC)c1
InChIInChI=1S/C18H26N4O/c1-4-6-10-22(3)13-16-12-20-21-17(16)14-8-7-9-15(11-14)18(23)19-5-2/h7-9,11-12H,4-6,10,13H2,1-3H3,(H,19,23)(H,20,21)
InChIKeyUCJWURAFKXJLCH-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.06
Rot. Bonds8

About 3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-ethylbenzamide

3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-ethylbenzamide (PubChem CID 162276236) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-ethylbenzamide
PubChem CID162276236
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-ethylbenzamide
SMILESCCCCN(C)Cc1cn[nH]c1-c1cccc(C(=O)NCC)c1
InChIInChI=1S/C18H26N4O/c1-4-6-10-22(3)13-16-12-20-21-17(16)14-8-7-9-15(11-14)18(23)19-5-2/h7-9,11-12H,4-6,10,13H2,1-3H3,(H,19,23)(H,20,21)
InChIKeyUCJWURAFKXJLCH-UHFFFAOYSA-N
XLogP3.06
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]-N,N-dimethylbenzamide
CID 147560072
N-propyl-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide
CID 58302750
4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile
CID 146733715
3-[3-(dimethylcarbamoyl)phenyl]-N-ethylbenzamide
CID 70972215
N'-[[5-(3-aminophenyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 86304952
N-[[5-[3,5-dimethoxy-4-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine
CID 158486957
N-methyl-N-[[5-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine
CID 157186184
5-[3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-5-(trifluoromethyl)phenoxy]pentan-2-one
CID 158216691
N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)benzamide
CID 119067217
3-[[butyl(methyl)amino]methyl]benzohydrazide
CID 63569748
1-N,3-N-bis[2-[decyl(methyl)amino]ethyl]benzene-1,3-dicarboxamide
CID 139953389
3-(dimethylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 54896754

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-ethylbenzamide?
The IUPAC name of 3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-ethylbenzamide (CID 162276236) is 3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-ethylbenzamide.
What is the SMILES notation for 3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-ethylbenzamide?
The canonical SMILES for 3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-ethylbenzamide is CCCCN(C)Cc1cn[nH]c1-c1cccc(C(=O)NCC)c1.
What is the InChIKey of 3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-ethylbenzamide?
The InChIKey is UCJWURAFKXJLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-4-6-10-22(3)13-16-12-20-21-17(16)14-8-7-9-15(11-14)18(23)19-5-2/h7-9,11-12H,4-6,10,13H2,1-3H3,(H,19,23)(H,20,21).
What are the key properties of 3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-ethylbenzamide?
3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-ethylbenzamide has a molecular weight of 314.43 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-ethylbenzamide is sourced from PubChem (CID 162276236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).