(E)-N-[1-(oxolan-3-yl)pyrazol-4-yl]-3-phenylprop-2-enamide

C16H17N3O2 — CID 71810092

IUPAC(E)-N-[1-(oxolan-3-yl)pyrazol-4-yl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1cnn(C2CCOC2)c1
InChIInChI=1S/C16H17N3O2/c20-16(7-6-13-4-2-1-3-5-13)18-14-10-17-19(11-14)15-8-9-21-12-15/h1-7,10-11,15H,8-9,12H2,(H,18,20)/b7-6+
InChIKeyXIDLHWDJFWKSKW-VOTSOKGWSA-N
MW283.33 g/mol
LogP2.50
Rot. Bonds4

About (E)-N-[1-(oxolan-3-yl)pyrazol-4-yl]-3-phenylprop-2-enamide

(E)-N-[1-(oxolan-3-yl)pyrazol-4-yl]-3-phenylprop-2-enamide (PubChem CID 71810092) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is (E)-N-[1-(oxolan-3-yl)pyrazol-4-yl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-(oxolan-3-yl)pyrazol-4-yl]-3-phenylprop-2-enamide
PubChem CID71810092
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name(E)-N-[1-(oxolan-3-yl)pyrazol-4-yl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1cnn(C2CCOC2)c1
InChIInChI=1S/C16H17N3O2/c20-16(7-6-13-4-2-1-3-5-13)18-14-10-17-19(11-14)15-8-9-21-12-15/h1-7,10-11,15H,8-9,12H2,(H,18,20)/b7-6+
InChIKeyXIDLHWDJFWKSKW-VOTSOKGWSA-N
XLogP2.50
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-4-oxobut-2-enoic acid
CID 122172610
2-chloro-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzamide
CID 71810085
1-(2-fluorophenyl)-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]urea
CID 97428185
(3R)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]oxolane-3-carboxamide
CID 97428174
N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]furan-2-carboxamide
CID 97428071
N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]cyclopentanecarboxamide
CID 97428015
N-[1-(oxolan-3-yl)pyrazol-4-yl]cyclobutanecarboxamide
CID 71810120
3-methyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]benzamide
CID 97428025
N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]thiophene-2-carboxamide
CID 97428073
1-tert-butyl-3-[1-(oxolan-3-yl)pyrazol-4-yl]urea
CID 72719638
N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-4-pyrrol-1-ylbenzamide
CID 97427952
1-benzyl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
CID 90597826

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(oxolan-3-yl)pyrazol-4-yl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[1-(oxolan-3-yl)pyrazol-4-yl]-3-phenylprop-2-enamide (CID 71810092) is (E)-N-[1-(oxolan-3-yl)pyrazol-4-yl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[1-(oxolan-3-yl)pyrazol-4-yl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[1-(oxolan-3-yl)pyrazol-4-yl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)Nc1cnn(C2CCOC2)c1.
What is the InChIKey of (E)-N-[1-(oxolan-3-yl)pyrazol-4-yl]-3-phenylprop-2-enamide?
The InChIKey is XIDLHWDJFWKSKW-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H17N3O2/c20-16(7-6-13-4-2-1-3-5-13)18-14-10-17-19(11-14)15-8-9-21-12-15/h1-7,10-11,15H,8-9,12H2,(H,18,20)/b7-6+.
What are the key properties of (E)-N-[1-(oxolan-3-yl)pyrazol-4-yl]-3-phenylprop-2-enamide?
(E)-N-[1-(oxolan-3-yl)pyrazol-4-yl]-3-phenylprop-2-enamide has a molecular weight of 283.33 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(oxolan-3-yl)pyrazol-4-yl]-3-phenylprop-2-enamide is sourced from PubChem (CID 71810092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).