(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-(2-methoxyphenoxy)propyl]propanamide

C18H25N3O3 — CID 96567828

IUPAC(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-(2-methoxyphenoxy)propyl]propanamide
SMILESCOc1ccccc1O[C@H](C)CNC(=O)[C@@H](C)n1nc(C)cc1C
InChIInChI=1S/C18H25N3O3/c1-12-10-13(2)21(20-12)15(4)18(22)19-11-14(3)24-17-9-7-6-8-16(17)23-5/h6-10,14-15H,11H2,1-5H3,(H,19,22)/t14-,15-/m1/s1
InChIKeyDVXSYYYDJDLVNT-HUUCEWRRSA-N
MW331.42 g/mol
LogP2.65
Rot. Bonds7

About (2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-(2-methoxyphenoxy)propyl]propanamide

(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-(2-methoxyphenoxy)propyl]propanamide (PubChem CID 96567828) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is (2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-(2-methoxyphenoxy)propyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-(2-methoxyphenoxy)propyl]propanamide
PubChem CID96567828
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-(2-methoxyphenoxy)propyl]propanamide
SMILESCOc1ccccc1O[C@H](C)CNC(=O)[C@@H](C)n1nc(C)cc1C
InChIInChI=1S/C18H25N3O3/c1-12-10-13(2)21(20-12)15(4)18(22)19-11-14(3)24-17-9-7-6-8-16(17)23-5/h6-10,14-15H,11H2,1-5H3,(H,19,22)/t14-,15-/m1/s1
InChIKeyDVXSYYYDJDLVNT-HUUCEWRRSA-N
XLogP2.65
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111682615
3-amino-N-[2-(2-methoxyphenoxy)propyl]-2-methylbutanamide;hydrochloride
CID 120501660
(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 97068294
(2S)-N-(2-anilinoethyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide
CID 95980716
2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-2-naphthalen-2-ylethyl)propanamide
CID 75381510
(2S)-2-amino-N-[2-(2-methoxyphenoxy)propyl]-4-methylpentanamide;hydrochloride
CID 119804840
2-(3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide
CID 47406603
2-(3,5-dimethylpyrazol-1-yl)-N-hydroxypropanamide
CID 131134395
2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-3-phenylpropyl)propanamide
CID 111472022
N-[2-(benzenesulfinyl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide
CID 56787038
N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 7444930
N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-2-(2-methoxyphenoxy)acetamide
CID 122264672

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-(2-methoxyphenoxy)propyl]propanamide?
The IUPAC name of (2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-(2-methoxyphenoxy)propyl]propanamide (CID 96567828) is (2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-(2-methoxyphenoxy)propyl]propanamide.
What is the SMILES notation for (2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-(2-methoxyphenoxy)propyl]propanamide?
The canonical SMILES for (2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-(2-methoxyphenoxy)propyl]propanamide is COc1ccccc1O[C@H](C)CNC(=O)[C@@H](C)n1nc(C)cc1C.
What is the InChIKey of (2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-(2-methoxyphenoxy)propyl]propanamide?
The InChIKey is DVXSYYYDJDLVNT-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-12-10-13(2)21(20-12)15(4)18(22)19-11-14(3)24-17-9-7-6-8-16(17)23-5/h6-10,14-15H,11H2,1-5H3,(H,19,22)/t14-,15-/m1/s1.
What are the key properties of (2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-(2-methoxyphenoxy)propyl]propanamide?
(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-(2-methoxyphenoxy)propyl]propanamide has a molecular weight of 331.42 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-(2-methoxyphenoxy)propyl]propanamide is sourced from PubChem (CID 96567828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).