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

C17H17FN4O2 — CID 134787568

IUPAC5-(2-fluorobenzoyl)-N-prop-2-enyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESC=CCNC(=O)c1cnn2c1CN(C(=O)c1ccccc1F)CC2
InChIInChI=1S/C17H17FN4O2/c1-2-7-19-16(23)13-10-20-22-9-8-21(11-15(13)22)17(24)12-5-3-4-6-14(12)18/h2-6,10H,1,7-9,11H2,(H,19,23)
InChIKeyDAFJVSRVJBHUSL-UHFFFAOYSA-N
MW328.35 g/mol
LogP1.59
Rot. Bonds4

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

5-(2-fluorobenzoyl)-N-prop-2-enyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 134787568) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is 5-(2-fluorobenzoyl)-N-prop-2-enyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name5-(2-fluorobenzoyl)-N-prop-2-enyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID134787568
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC Name5-(2-fluorobenzoyl)-N-prop-2-enyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESC=CCNC(=O)c1cnn2c1CN(C(=O)c1ccccc1F)CC2
InChIInChI=1S/C17H17FN4O2/c1-2-7-19-16(23)13-10-20-22-9-8-21(11-15(13)22)17(24)12-5-3-4-6-14(12)18/h2-6,10H,1,7-9,11H2,(H,19,23)
InChIKeyDAFJVSRVJBHUSL-UHFFFAOYSA-N
XLogP1.59
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 51.59
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
Pyrazole diamide, 25
CID 24971319
Pyrazole diamide, 30
CID 24971322
2-(pyridin-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
CID 25190898
Cdkl5/gsk3-IN-1
CID 59733332
Ab-chfupyca
CID 122213879
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645921
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645922
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[1-methyl-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-6-yl]butan-1-one
CID 23645933
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-methyl-3-(trifluoromethyl)-2H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-6-yl]butan-1-one
CID 23645935

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorobenzoyl)-N-prop-2-enyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of 5-(2-fluorobenzoyl)-N-prop-2-enyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide (CID 134787568) is 5-(2-fluorobenzoyl)-N-prop-2-enyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for 5-(2-fluorobenzoyl)-N-prop-2-enyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for 5-(2-fluorobenzoyl)-N-prop-2-enyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide is C=CCNC(=O)c1cnn2c1CN(C(=O)c1ccccc1F)CC2.
What is the InChIKey of 5-(2-fluorobenzoyl)-N-prop-2-enyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is DAFJVSRVJBHUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2/c1-2-7-19-16(23)13-10-20-22-9-8-21(11-15(13)22)17(24)12-5-3-4-6-14(12)18/h2-6,10H,1,7-9,11H2,(H,19,23).
What are the key properties of 5-(2-fluorobenzoyl)-N-prop-2-enyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
5-(2-fluorobenzoyl)-N-prop-2-enyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 328.35 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorobenzoyl)-N-prop-2-enyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 134787568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).