N-[2-[di(propan-2-yl)amino]ethyl]-4-pyrazol-1-ylbenzamide

C18H26N4O — CID 18160782

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-4-pyrazol-1-ylbenzamide
SMILESCC(C)N(CCNC(=O)c1ccc(-n2cccn2)cc1)C(C)C
InChIInChI=1S/C18H26N4O/c1-14(2)21(15(3)4)13-11-19-18(23)16-6-8-17(9-7-16)22-12-5-10-20-22/h5-10,12,14-15H,11,13H2,1-4H3,(H,19,23)
InChIKeyJBRGSUMNLTWRSN-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.72
Rot. Bonds7

About N-[2-[di(propan-2-yl)amino]ethyl]-4-pyrazol-1-ylbenzamide

N-[2-[di(propan-2-yl)amino]ethyl]-4-pyrazol-1-ylbenzamide (PubChem CID 18160782) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-4-pyrazol-1-ylbenzamide
PubChem CID18160782
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-4-pyrazol-1-ylbenzamide
SMILESCC(C)N(CCNC(=O)c1ccc(-n2cccn2)cc1)C(C)C
InChIInChI=1S/C18H26N4O/c1-14(2)21(15(3)4)13-11-19-18(23)16-6-8-17(9-7-16)22-12-5-10-20-22/h5-10,12,14-15H,11,13H2,1-4H3,(H,19,23)
InChIKeyJBRGSUMNLTWRSN-UHFFFAOYSA-N
XLogP2.72
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-2-methylpropyl)-4-pyrazol-1-ylbenzamide
CID 65031869
4-(3,5-dimethylpyrazol-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide
CID 26197510
1-[2-[di(propan-2-yl)amino]ethyl]-2-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 111247951
N-prop-2-ynyl-4-pyrazol-1-ylbenzamide
CID 30601389
4-(methoxymethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 26081638
N-(1-hydroxypropan-2-yl)-4-pyrazol-1-ylbenzamide
CID 43418766
4-(benzimidazol-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide
CID 18150595
N-[2-[di(propan-2-yl)amino]ethyl]-1-phenylpyrazole-3-carboxamide
CID 39954880
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-pyrazol-1-ylbenzamide
CID 18157119
N-(2-phenylsulfanylethyl)-4-pyrazol-1-ylbenzamide
CID 9483024
N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-pyrazol-1-ylbenzamide
CID 103767403
N-[(2R)-1-methoxypropan-2-yl]-4-pyrazol-1-ylbenzamide
CID 94065165

Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-4-pyrazol-1-ylbenzamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-4-pyrazol-1-ylbenzamide (CID 18160782) is N-[2-[di(propan-2-yl)amino]ethyl]-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-4-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-4-pyrazol-1-ylbenzamide is CC(C)N(CCNC(=O)c1ccc(-n2cccn2)cc1)C(C)C.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-4-pyrazol-1-ylbenzamide?
The InChIKey is JBRGSUMNLTWRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-14(2)21(15(3)4)13-11-19-18(23)16-6-8-17(9-7-16)22-12-5-10-20-22/h5-10,12,14-15H,11,13H2,1-4H3,(H,19,23).
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-4-pyrazol-1-ylbenzamide?
N-[2-[di(propan-2-yl)amino]ethyl]-4-pyrazol-1-ylbenzamide has a molecular weight of 314.43 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 18160782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).