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

C17H24N4O2 — CID 47076873

IUPACN-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methoxybenzamide
SMILESCCN(CC)CCn1cc(NC(=O)c2ccccc2OC)cn1
InChIInChI=1S/C17H24N4O2/c1-4-20(5-2)10-11-21-13-14(12-18-21)19-17(22)15-8-6-7-9-16(15)23-3/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,19,22)
InChIKeyLAGWBGLTPFSHQG-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.49
Rot. Bonds8

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

N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methoxybenzamide (PubChem CID 47076873) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methoxybenzamide
PubChem CID47076873
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC NameN-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methoxybenzamide
SMILESCCN(CC)CCn1cc(NC(=O)c2ccccc2OC)cn1
InChIInChI=1S/C17H24N4O2/c1-4-20(5-2)10-11-21-13-14(12-18-21)19-17(22)15-8-6-7-9-16(15)23-3/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,19,22)
InChIKeyLAGWBGLTPFSHQG-UHFFFAOYSA-N
XLogP2.49
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
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-methoxybenzamide?
The IUPAC name of N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methoxybenzamide (CID 47076873) is N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methoxybenzamide?
The canonical SMILES for N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methoxybenzamide is CCN(CC)CCn1cc(NC(=O)c2ccccc2OC)cn1.
What is the InChIKey of N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methoxybenzamide?
The InChIKey is LAGWBGLTPFSHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-4-20(5-2)10-11-21-13-14(12-18-21)19-17(22)15-8-6-7-9-16(15)23-3/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,19,22).
What are the key properties of N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methoxybenzamide?
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methoxybenzamide has a molecular weight of 316.41 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 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-methoxybenzamide is sourced from PubChem (CID 47076873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).