5-(cyclopropylmethyl)-2-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C24H29N5O2 — CID 75159401

IUPAC5-(cyclopropylmethyl)-2-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C(c1cc2n(n1)CCN(CC1CC1)C2=O)N1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C24H29N5O2/c30-23(21-17-22-24(31)28(18-20-8-9-20)15-16-29(22)25-21)27-13-11-26(12-14-27)10-4-7-19-5-2-1-3-6-19/h1-7,17,20H,8-16,18H2
InChIKeyZLQAIZXQZRUFQB-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.22
Rot. Bonds6

About 5-(cyclopropylmethyl)-2-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-(cyclopropylmethyl)-2-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 75159401) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-2-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-2-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID75159401
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name5-(cyclopropylmethyl)-2-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C(c1cc2n(n1)CCN(CC1CC1)C2=O)N1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C24H29N5O2/c30-23(21-17-22-24(31)28(18-20-8-9-20)15-16-29(22)25-21)27-13-11-26(12-14-27)10-4-7-19-5-2-1-3-6-19/h1-7,17,20H,8-16,18H2
InChIKeyZLQAIZXQZRUFQB-UHFFFAOYSA-N
XLogP2.22
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(cyclopropylmethyl)-N-hydroxy-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 58465668
5-benzyl-2-(4-benzylpiperidine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 46077097
5-benzyl-2-(4-benzylpiperazine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one
CID 46347961
(2-cyclopropyl-6-methylpyrimidin-4-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 171148554
(5-methyl-1,2-oxazol-3-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 1246806
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
CID 74241708
[3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6103975
ethyl 5-(cyclopropylmethyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate
CID 58465837
1,2-oxazol-3-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 110693756
[2-(cyclopropylamino)pyrimidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 109295584
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110854625
[1-(1,1-dioxothiolan-3-yl)-5-thiophen-2-ylpyrazol-3-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 50753293

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-2-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-(cyclopropylmethyl)-2-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 75159401) is 5-(cyclopropylmethyl)-2-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-(cyclopropylmethyl)-2-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-(cyclopropylmethyl)-2-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is O=C(c1cc2n(n1)CCN(CC1CC1)C2=O)N1CCN(CC=Cc2ccccc2)CC1.
What is the InChIKey of 5-(cyclopropylmethyl)-2-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is ZLQAIZXQZRUFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c30-23(21-17-22-24(31)28(18-20-8-9-20)15-16-29(22)25-21)27-13-11-26(12-14-27)10-4-7-19-5-2-1-3-6-19/h1-7,17,20H,8-16,18H2.
What are the key properties of 5-(cyclopropylmethyl)-2-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-(cyclopropylmethyl)-2-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 419.53 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-2-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 75159401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).