N-(4-morpholin-4-ylbut-2-ynyl)-2-pyrazol-1-ylacetamide

C13H18N4O2 — CID 71792712

IUPACN-(4-morpholin-4-ylbut-2-ynyl)-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)NCC#CCN1CCOCC1
InChIInChI=1S/C13H18N4O2/c18-13(12-17-7-3-5-15-17)14-4-1-2-6-16-8-10-19-11-9-16/h3,5,7H,4,6,8-12H2,(H,14,18)
InChIKeyTXYOTGUXDZXLGP-UHFFFAOYSA-N
MW262.31 g/mol
LogP-0.67
Rot. Bonds4

About N-(4-morpholin-4-ylbut-2-ynyl)-2-pyrazol-1-ylacetamide

N-(4-morpholin-4-ylbut-2-ynyl)-2-pyrazol-1-ylacetamide (PubChem CID 71792712) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(4-morpholin-4-ylbut-2-ynyl)-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylbut-2-ynyl)-2-pyrazol-1-ylacetamide
PubChem CID71792712
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-(4-morpholin-4-ylbut-2-ynyl)-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)NCC#CCN1CCOCC1
InChIInChI=1S/C13H18N4O2/c18-13(12-17-7-3-5-15-17)14-4-1-2-6-16-8-10-19-11-9-16/h3,5,7H,4,6,8-12H2,(H,14,18)
InChIKeyTXYOTGUXDZXLGP-UHFFFAOYSA-N
XLogP-0.67
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-Dimethylmorpholin-4-yl)-2-pyrazol-1-ylethanone
CID 51074299
N-(1-ethylpiperidin-4-yl)-2-(1-pyrazol-1-ylpropan-2-ylamino)acetamide
CID 53556864
N-cyclopentyl-3-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]propanamide
CID 53564859
N-(1-cyclopropylpiperidin-4-yl)-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 53566207
N-(2-acetamidoethyl)-2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]acetamide
CID 53582922
N-(oxan-4-yl)-2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 53590105
N-(2-acetamidoethyl)-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 53599673
N-(oxan-4-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 53619702
N-(oxan-4-yl)-2-(1-pyrazol-1-ylpropan-2-ylamino)acetamide
CID 63099547
1-[4-(2-Pyrazol-1-ylacetyl)piperazin-1-yl]propan-1-one
CID 71934220
1-[(2~{S})-2-methylmorpholin-4-yl]-2-pyrazol-1-yl-ethanone
CID 94171767
4-(2-(1H-pyrazol-1-yl)ethyl)piperazin-2-one
CID 91623586

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylbut-2-ynyl)-2-pyrazol-1-ylacetamide?
The IUPAC name of N-(4-morpholin-4-ylbut-2-ynyl)-2-pyrazol-1-ylacetamide (CID 71792712) is N-(4-morpholin-4-ylbut-2-ynyl)-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-(4-morpholin-4-ylbut-2-ynyl)-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-(4-morpholin-4-ylbut-2-ynyl)-2-pyrazol-1-ylacetamide is O=C(Cn1cccn1)NCC#CCN1CCOCC1.
What is the InChIKey of N-(4-morpholin-4-ylbut-2-ynyl)-2-pyrazol-1-ylacetamide?
The InChIKey is TXYOTGUXDZXLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c18-13(12-17-7-3-5-15-17)14-4-1-2-6-16-8-10-19-11-9-16/h3,5,7H,4,6,8-12H2,(H,14,18).
What are the key properties of N-(4-morpholin-4-ylbut-2-ynyl)-2-pyrazol-1-ylacetamide?
N-(4-morpholin-4-ylbut-2-ynyl)-2-pyrazol-1-ylacetamide has a molecular weight of 262.31 g/mol, XLogP of -0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylbut-2-ynyl)-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 71792712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).