5-benzoyl-N-prop-2-enyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide

C17H18N4O2 — CID 134789040

IUPAC5-benzoyl-N-prop-2-enyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESC=CCNC(=O)c1cnn2c1CN(C(=O)c1ccccc1)CC2
InChIInChI=1S/C17H18N4O2/c1-2-8-18-16(22)14-11-19-21-10-9-20(12-15(14)21)17(23)13-6-4-3-5-7-13/h2-7,11H,1,8-10,12H2,(H,18,22)
InChIKeyZYXMUYQAAYKPNR-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.45
Rot. Bonds4

About 5-benzoyl-N-prop-2-enyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide

5-benzoyl-N-prop-2-enyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 134789040) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 5-benzoyl-N-prop-2-enyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name5-benzoyl-N-prop-2-enyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID134789040
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name5-benzoyl-N-prop-2-enyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESC=CCNC(=O)c1cnn2c1CN(C(=O)c1ccccc1)CC2
InChIInChI=1S/C17H18N4O2/c1-2-8-18-16(22)14-11-19-21-10-9-20(12-15(14)21)17(23)13-6-4-3-5-7-13/h2-7,11H,1,8-10,12H2,(H,18,22)
InChIKeyZYXMUYQAAYKPNR-UHFFFAOYSA-N
XLogP1.45
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-benzoyl-N-phenyl-1H-pyrazole-3-carboxamide
CID 716930
4-{[(2,6-difluorophenyl)carbonyl]amino}-N-[(3S)-piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 24864082
{[(2,6-difluorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide
CID 11268094
2-(pyridin-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
CID 25190898
Cdkl5/gsk3-IN-1
CID 59733332
4-phenyl-N-[4-[propyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)amino]butyl]benzamide
CID 52937776
4-phenyl-N-[4-[propyl-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]amino]butyl]benzamide
CID 52937876
N-[[1-[3-(methylamino)-3-oxopropyl]piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride
CID 71457298
N-[4-[[(1R)-4-ethynylcyclohex-3-en-1-yl]-propylamino]butyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71734029
N-allyl-1,5-diphenyl-1H-pyrazole-4-carboxamide
CID 3741646
N-(1-benzylpiperidin-4-yl)-2-methylpyrazole-3-carboxamide
CID 6468083
N-(3-acetylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 5309500

Frequently Asked Questions

What is the IUPAC name of 5-benzoyl-N-prop-2-enyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of 5-benzoyl-N-prop-2-enyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide (CID 134789040) is 5-benzoyl-N-prop-2-enyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for 5-benzoyl-N-prop-2-enyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for 5-benzoyl-N-prop-2-enyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide is C=CCNC(=O)c1cnn2c1CN(C(=O)c1ccccc1)CC2.
What is the InChIKey of 5-benzoyl-N-prop-2-enyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is ZYXMUYQAAYKPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-2-8-18-16(22)14-11-19-21-10-9-20(12-15(14)21)17(23)13-6-4-3-5-7-13/h2-7,11H,1,8-10,12H2,(H,18,22).
What are the key properties of 5-benzoyl-N-prop-2-enyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
5-benzoyl-N-prop-2-enyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzoyl-N-prop-2-enyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 134789040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).