N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-hydroxybenzamide

C16H22N4O2 — CID 47076872

IUPACN-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-hydroxybenzamide
SMILESCCN(CC)CCn1cc(NC(=O)c2ccccc2O)cn1
InChIInChI=1S/C16H22N4O2/c1-3-19(4-2)9-10-20-12-13(11-17-20)18-16(22)14-7-5-6-8-15(14)21/h5-8,11-12,21H,3-4,9-10H2,1-2H3,(H,18,22)
InChIKeyXURRASLDQYDNPP-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.18
Rot. Bonds7

About N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-hydroxybenzamide

N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-hydroxybenzamide (PubChem CID 47076872) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-hydroxybenzamide
PubChem CID47076872
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-hydroxybenzamide
SMILESCCN(CC)CCn1cc(NC(=O)c2ccccc2O)cn1
InChIInChI=1S/C16H22N4O2/c1-3-19(4-2)9-10-20-12-13(11-17-20)18-16(22)14-7-5-6-8-15(14)21/h5-8,11-12,21H,3-4,9-10H2,1-2H3,(H,18,22)
InChIKeyXURRASLDQYDNPP-UHFFFAOYSA-N
XLogP2.18
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(E)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide
CID 6890491
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-hydroxybenzamide
CID 155567505
2-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 1224532
4-{[(E)-(2-hydroxyphenyl)methylidene]amino}-1-methyl-N-phenyl-1H-pyrazole-5-carboxamide
CID 657770
4-{[(E)-(2-hydroxyphenyl)methylidene]amino}-1-methyl-1H-pyrazole-5-carboxamide
CID 915276
2-Hydroxy-5-[(2-methylpyrazol-3-yl)methylamino]benzoic acid
CID 19624675
2-hydroxy-4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 31953145
2-hydroxy-5-methyl-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37394414
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methoxybenzamide
CID 47076873
N-ethyl-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47466877
5-(4-hexyltriazol-1-yl)-2-hydroxy-N-propylbenzamide
CID 51351505
2-hydroxy-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
CID 53577179

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-hydroxybenzamide?
The IUPAC name of N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-hydroxybenzamide (CID 47076872) is N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-hydroxybenzamide.
What is the SMILES notation for N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-hydroxybenzamide?
The canonical SMILES for N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-hydroxybenzamide is CCN(CC)CCn1cc(NC(=O)c2ccccc2O)cn1.
What is the InChIKey of N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-hydroxybenzamide?
The InChIKey is XURRASLDQYDNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-3-19(4-2)9-10-20-12-13(11-17-20)18-16(22)14-7-5-6-8-15(14)21/h5-8,11-12,21H,3-4,9-10H2,1-2H3,(H,18,22).
What are the key properties of N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-hydroxybenzamide?
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-hydroxybenzamide has a molecular weight of 302.38 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-hydroxybenzamide is sourced from PubChem (CID 47076872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).