N-[[5-[(1R)-cyclohex-3-ene-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide

C17H24N4O2 — CID 126450826

IUPACN-[[5-[(1R)-cyclohex-3-ene-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1cc2n(n1)CCN(C(=O)[C@H]1CC=CCC1)C2
InChIInChI=1S/C17H24N4O2/c1-2-16(22)18-11-14-10-15-12-20(8-9-21(15)19-14)17(23)13-6-4-3-5-7-13/h3-4,10,13H,2,5-9,11-12H2,1H3,(H,18,22)/t13-/m0/s1
InChIKeyOWAZBDOWKQPXCK-ZDUSSCGKSA-N
MW316.41 g/mol
LogP1.61
Rot. Bonds4

About N-[[5-[(1R)-cyclohex-3-ene-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide

N-[[5-[(1R)-cyclohex-3-ene-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide (PubChem CID 126450826) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-[[5-[(1R)-cyclohex-3-ene-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[5-[(1R)-cyclohex-3-ene-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
PubChem CID126450826
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC NameN-[[5-[(1R)-cyclohex-3-ene-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1cc2n(n1)CCN(C(=O)[C@H]1CC=CCC1)C2
InChIInChI=1S/C17H24N4O2/c1-2-16(22)18-11-14-10-15-12-20(8-9-21(15)19-14)17(23)13-6-4-3-5-7-13/h3-4,10,13H,2,5-9,11-12H2,1H3,(H,18,22)/t13-/m0/s1
InChIKeyOWAZBDOWKQPXCK-ZDUSSCGKSA-N
XLogP1.61
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(1R)-cyclohex-3-ene-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide?
The IUPAC name of N-[[5-[(1R)-cyclohex-3-ene-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide (CID 126450826) is N-[[5-[(1R)-cyclohex-3-ene-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide.
What is the SMILES notation for N-[[5-[(1R)-cyclohex-3-ene-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide?
The canonical SMILES for N-[[5-[(1R)-cyclohex-3-ene-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide is CCC(=O)NCc1cc2n(n1)CCN(C(=O)[C@H]1CC=CCC1)C2.
What is the InChIKey of N-[[5-[(1R)-cyclohex-3-ene-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide?
The InChIKey is OWAZBDOWKQPXCK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-2-16(22)18-11-14-10-15-12-20(8-9-21(15)19-14)17(23)13-6-4-3-5-7-13/h3-4,10,13H,2,5-9,11-12H2,1H3,(H,18,22)/t13-/m0/s1.
What are the key properties of N-[[5-[(1R)-cyclohex-3-ene-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide?
N-[[5-[(1R)-cyclohex-3-ene-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide has a molecular weight of 316.41 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(1R)-cyclohex-3-ene-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide is sourced from PubChem (CID 126450826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).