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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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).