1-(oxan-4-yl)-N-[1-(1-prop-2-enoylazetidin-3-yl)ethyl]pyrazole-3-carboxamide

C17H24N4O3 — CID 166424568

IUPAC1-(oxan-4-yl)-N-[1-(1-prop-2-enoylazetidin-3-yl)ethyl]pyrazole-3-carboxamide
SMILESC=CC(=O)N1CC(C(C)NC(=O)c2ccn(C3CCOCC3)n2)C1
InChIInChI=1S/C17H24N4O3/c1-3-16(22)20-10-13(11-20)12(2)18-17(23)15-4-7-21(19-15)14-5-8-24-9-6-14/h3-4,7,12-14H,1,5-6,8-11H2,2H3,(H,18,23)
InChIKeyLPNWPVDEBSQODV-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.00
Rot. Bonds5

About 1-(oxan-4-yl)-N-[1-(1-prop-2-enoylazetidin-3-yl)ethyl]pyrazole-3-carboxamide

1-(oxan-4-yl)-N-[1-(1-prop-2-enoylazetidin-3-yl)ethyl]pyrazole-3-carboxamide (PubChem CID 166424568) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-(oxan-4-yl)-N-[1-(1-prop-2-enoylazetidin-3-yl)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(oxan-4-yl)-N-[1-(1-prop-2-enoylazetidin-3-yl)ethyl]pyrazole-3-carboxamide
PubChem CID166424568
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name1-(oxan-4-yl)-N-[1-(1-prop-2-enoylazetidin-3-yl)ethyl]pyrazole-3-carboxamide
SMILESC=CC(=O)N1CC(C(C)NC(=O)c2ccn(C3CCOCC3)n2)C1
InChIInChI=1S/C17H24N4O3/c1-3-16(22)20-10-13(11-20)12(2)18-17(23)15-4-7-21(19-15)14-5-8-24-9-6-14/h3-4,7,12-14H,1,5-6,8-11H2,2H3,(H,18,23)
InChIKeyLPNWPVDEBSQODV-UHFFFAOYSA-N
XLogP1.00
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-(oxan-4-yl)-N-[1-(1-prop-2-enoylazetidin-3-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 166424579
N-[(cyclopropylmethylidenehydrazinylidene)methyl]-1-(oxan-4-yl)pyrazole-3-carboxamide
CID 169248527
(2R)-2-[(1-cyclopentylpyrazole-3-carbonyl)amino]-3-methylbutanoic acid
CID 99851518
1-cyclopentyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrazole-3-carboxamide
CID 75483755
5-fluoro-2-propan-2-yloxy-N-[1-(1-prop-2-enoylazetidin-3-yl)ethyl]benzamide
CID 166424580
1-cyclopentyl-N-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]pyrazole-3-carboxamide
CID 97247623
(1-cyclopentylpyrazol-3-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023312
1-cyclopentyl-N-[(2R,3R)-2-(2-methylpropyl)oxan-3-yl]pyrazole-3-carboxamide
CID 99786412
4-[[(1-cyclopentylpyrazole-3-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 120543379
3-[(1-cyclopentylpyrazole-3-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 86782572
N-[(1S)-1-(oxan-4-yl)ethyl]-4-[(prop-2-enoylamino)methyl]benzamide
CID 166408483
1-cyclopropylpyrazole-3-carboxamide
CID 129189141

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-N-[1-(1-prop-2-enoylazetidin-3-yl)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(oxan-4-yl)-N-[1-(1-prop-2-enoylazetidin-3-yl)ethyl]pyrazole-3-carboxamide (CID 166424568) is 1-(oxan-4-yl)-N-[1-(1-prop-2-enoylazetidin-3-yl)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(oxan-4-yl)-N-[1-(1-prop-2-enoylazetidin-3-yl)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(oxan-4-yl)-N-[1-(1-prop-2-enoylazetidin-3-yl)ethyl]pyrazole-3-carboxamide is C=CC(=O)N1CC(C(C)NC(=O)c2ccn(C3CCOCC3)n2)C1.
What is the InChIKey of 1-(oxan-4-yl)-N-[1-(1-prop-2-enoylazetidin-3-yl)ethyl]pyrazole-3-carboxamide?
The InChIKey is LPNWPVDEBSQODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-3-16(22)20-10-13(11-20)12(2)18-17(23)15-4-7-21(19-15)14-5-8-24-9-6-14/h3-4,7,12-14H,1,5-6,8-11H2,2H3,(H,18,23).
What are the key properties of 1-(oxan-4-yl)-N-[1-(1-prop-2-enoylazetidin-3-yl)ethyl]pyrazole-3-carboxamide?
1-(oxan-4-yl)-N-[1-(1-prop-2-enoylazetidin-3-yl)ethyl]pyrazole-3-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-N-[1-(1-prop-2-enoylazetidin-3-yl)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 166424568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).