3-(dimethylamino)-N-[2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]ethyl]propanamide

C17H24N4O2 — CID 173044787

IUPAC3-(dimethylamino)-N-[2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]ethyl]propanamide
SMILESCc1[nH]ncc1-c1cccc(OCCNC(=O)CCN(C)C)c1
InChIInChI=1S/C17H24N4O2/c1-13-16(12-19-20-13)14-5-4-6-15(11-14)23-10-8-18-17(22)7-9-21(2)3/h4-6,11-12H,7-10H2,1-3H3,(H,18,22)(H,19,20)
InChIKeyKKIKGCNCYNYPLS-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.83
Rot. Bonds8

About 3-(dimethylamino)-N-[2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]ethyl]propanamide

3-(dimethylamino)-N-[2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]ethyl]propanamide (PubChem CID 173044787) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]ethyl]propanamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]ethyl]propanamide
PubChem CID173044787
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name3-(dimethylamino)-N-[2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]ethyl]propanamide
SMILESCc1[nH]ncc1-c1cccc(OCCNC(=O)CCN(C)C)c1
InChIInChI=1S/C17H24N4O2/c1-13-16(12-19-20-13)14-5-4-6-15(11-14)23-10-8-18-17(22)7-9-21(2)3/h4-6,11-12H,7-10H2,1-3H3,(H,18,22)(H,19,20)
InChIKeyKKIKGCNCYNYPLS-UHFFFAOYSA-N
XLogP1.83
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]ethyl]-2-piperidin-4-ylacetamide
CID 173044845
(2R)-N-[2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]ethyl]piperidine-2-carboxamide
CID 173044805
2-(dimethylamino)-N-[(2R)-1-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]propan-2-yl]acetamide
CID 173044738
2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide
CID 173044745
2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide
CID 173044703
N-[2-(dimethylamino)ethyl]-4-(3-methoxyphenoxy)butanamide
CID 110486942
3-(3,4-dichlorophenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 61021525
N-[2-(3-methoxyphenoxy)ethyl]-3-phenoxypropanamide
CID 113099798
N-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-3-phenoxypropanamide
CID 155919581
3-(2-methoxyethoxy)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 126820356
N-[2-(3-bromophenoxy)ethyl]butanamide
CID 113099626
1-[2-(dimethylamino)ethyl]-3-[2-(3-fluorophenoxy)ethyl]urea
CID 112970330

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]ethyl]propanamide?
The IUPAC name of 3-(dimethylamino)-N-[2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]ethyl]propanamide (CID 173044787) is 3-(dimethylamino)-N-[2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]ethyl]propanamide.
What is the SMILES notation for 3-(dimethylamino)-N-[2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]ethyl]propanamide?
The canonical SMILES for 3-(dimethylamino)-N-[2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]ethyl]propanamide is Cc1[nH]ncc1-c1cccc(OCCNC(=O)CCN(C)C)c1.
What is the InChIKey of 3-(dimethylamino)-N-[2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]ethyl]propanamide?
The InChIKey is KKIKGCNCYNYPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-13-16(12-19-20-13)14-5-4-6-15(11-14)23-10-8-18-17(22)7-9-21(2)3/h4-6,11-12H,7-10H2,1-3H3,(H,18,22)(H,19,20).
What are the key properties of 3-(dimethylamino)-N-[2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]ethyl]propanamide?
3-(dimethylamino)-N-[2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]ethyl]propanamide has a molecular weight of 316.40 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]ethyl]propanamide is sourced from PubChem (CID 173044787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).