N-[2-(4-methylphenoxy)propyl]-3-(4-methylpyrazol-1-yl)propanamide

C17H23N3O2 — CID 71994353

IUPACN-[2-(4-methylphenoxy)propyl]-3-(4-methylpyrazol-1-yl)propanamide
SMILESCc1ccc(OC(C)CNC(=O)CCn2cc(C)cn2)cc1
InChIInChI=1S/C17H23N3O2/c1-13-4-6-16(7-5-13)22-15(3)11-18-17(21)8-9-20-12-14(2)10-19-20/h4-7,10,12,15H,8-9,11H2,1-3H3,(H,18,21)
InChIKeyIOIOIVOPGIGVFS-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.47
Rot. Bonds7

About N-[2-(4-methylphenoxy)propyl]-3-(4-methylpyrazol-1-yl)propanamide

N-[2-(4-methylphenoxy)propyl]-3-(4-methylpyrazol-1-yl)propanamide (PubChem CID 71994353) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[2-(4-methylphenoxy)propyl]-3-(4-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-methylphenoxy)propyl]-3-(4-methylpyrazol-1-yl)propanamide
PubChem CID71994353
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[2-(4-methylphenoxy)propyl]-3-(4-methylpyrazol-1-yl)propanamide
SMILESCc1ccc(OC(C)CNC(=O)CCn2cc(C)cn2)cc1
InChIInChI=1S/C17H23N3O2/c1-13-4-6-16(7-5-13)22-15(3)11-18-17(21)8-9-20-12-14(2)10-19-20/h4-7,10,12,15H,8-9,11H2,1-3H3,(H,18,21)
InChIKeyIOIOIVOPGIGVFS-UHFFFAOYSA-N
XLogP2.47
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylpyrazol-1-yl)-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]propanamide
CID 87040823
3-(4-methylpyrazol-1-yl)-N-(2-sulfanylethyl)propanamide
CID 19559644
N-[(2S)-2-(4-methylphenoxy)propyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 96566487
2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-propan-2-ylpropanamide
CID 113232733
2-methyl-1-[2-(3-methylphenoxy)propyl]-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine
CID 111686118
(3R,4S)-N-[2-(4-methylphenoxy)propyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120924574
1-[3-[3-(4-methylpyrazol-1-yl)propylamino]-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19483106
N-(2-amino-4-methoxyphenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60874215
N-[2-(4-chlorophenoxy)propyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 71993780
N-cyclopropyl-3-(4-methylpyrazol-1-yl)propanamide
CID 19559575
N-(4-aminophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60871929
N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(4-methylpyrazol-1-yl)propanamide
CID 87046604

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenoxy)propyl]-3-(4-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[2-(4-methylphenoxy)propyl]-3-(4-methylpyrazol-1-yl)propanamide (CID 71994353) is N-[2-(4-methylphenoxy)propyl]-3-(4-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(4-methylphenoxy)propyl]-3-(4-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[2-(4-methylphenoxy)propyl]-3-(4-methylpyrazol-1-yl)propanamide is Cc1ccc(OC(C)CNC(=O)CCn2cc(C)cn2)cc1.
What is the InChIKey of N-[2-(4-methylphenoxy)propyl]-3-(4-methylpyrazol-1-yl)propanamide?
The InChIKey is IOIOIVOPGIGVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-13-4-6-16(7-5-13)22-15(3)11-18-17(21)8-9-20-12-14(2)10-19-20/h4-7,10,12,15H,8-9,11H2,1-3H3,(H,18,21).
What are the key properties of N-[2-(4-methylphenoxy)propyl]-3-(4-methylpyrazol-1-yl)propanamide?
N-[2-(4-methylphenoxy)propyl]-3-(4-methylpyrazol-1-yl)propanamide has a molecular weight of 301.39 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenoxy)propyl]-3-(4-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 71994353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).