N-methyl-2-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]benzamide

C22H26N4O2 — CID 144741630

IUPACN-methyl-2-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]benzamide
SMILESCCCN(C)Cc1cn[nH]c1-c1ccc(Oc2ccccc2C(=O)NC)cc1
InChIInChI=1S/C22H26N4O2/c1-4-13-26(3)15-17-14-24-25-21(17)16-9-11-18(12-10-16)28-20-8-6-5-7-19(20)22(27)23-2/h5-12,14H,4,13,15H2,1-3H3,(H,23,27)(H,24,25)
InChIKeyJIVMZZZEHJRZRH-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.07
Rot. Bonds8

About N-methyl-2-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]benzamide

N-methyl-2-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]benzamide (PubChem CID 144741630) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-methyl-2-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]benzamide.

Molecular Properties

Compound NameN-methyl-2-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]benzamide
PubChem CID144741630
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-methyl-2-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]benzamide
SMILESCCCN(C)Cc1cn[nH]c1-c1ccc(Oc2ccccc2C(=O)NC)cc1
InChIInChI=1S/C22H26N4O2/c1-4-13-26(3)15-17-14-24-25-21(17)16-9-11-18(12-10-16)28-20-8-6-5-7-19(20)22(27)23-2/h5-12,14H,4,13,15H2,1-3H3,(H,23,27)(H,24,25)
InChIKeyJIVMZZZEHJRZRH-UHFFFAOYSA-N
XLogP4.07
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]benzamide?
The IUPAC name of N-methyl-2-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]benzamide (CID 144741630) is N-methyl-2-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]benzamide.
What is the SMILES notation for N-methyl-2-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]benzamide?
The canonical SMILES for N-methyl-2-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]benzamide is CCCN(C)Cc1cn[nH]c1-c1ccc(Oc2ccccc2C(=O)NC)cc1.
What is the InChIKey of N-methyl-2-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]benzamide?
The InChIKey is JIVMZZZEHJRZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-4-13-26(3)15-17-14-24-25-21(17)16-9-11-18(12-10-16)28-20-8-6-5-7-19(20)22(27)23-2/h5-12,14H,4,13,15H2,1-3H3,(H,23,27)(H,24,25).
What are the key properties of N-methyl-2-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]benzamide?
N-methyl-2-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]benzamide has a molecular weight of 378.48 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenoxy]benzamide is sourced from PubChem (CID 144741630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).