3-(4-methylpiperazine-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one

C16H17N5O2 — CID 135939654

IUPAC3-(4-methylpiperazine-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESCN1CCN(C(=O)c2cnn3c2[nH]c(=O)c2ccccc23)CC1
InChIInChI=1S/C16H17N5O2/c1-19-6-8-20(9-7-19)16(23)12-10-17-21-13-5-3-2-4-11(13)15(22)18-14(12)21/h2-5,10H,6-9H2,1H3,(H,18,22)
InChIKeyOWJXFHJPHHEPNZ-UHFFFAOYSA-N
MW311.34 g/mol
LogP0.56
Rot. Bonds1

About 3-(4-methylpiperazine-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one

3-(4-methylpiperazine-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one (PubChem CID 135939654) has the molecular formula C16H17N5O2 and a molecular weight of 311.34 g/mol. Its IUPAC name is 3-(4-methylpiperazine-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name3-(4-methylpiperazine-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
PubChem CID135939654
Molecular FormulaC16H17N5O2
Molecular Weight311.34 g/mol
Exact Mass311.14
IUPAC Name3-(4-methylpiperazine-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESCN1CCN(C(=O)c2cnn3c2[nH]c(=O)c2ccccc23)CC1
InChIInChI=1S/C16H17N5O2/c1-19-6-8-20(9-7-19)16(23)12-10-17-21-13-5-3-2-4-11(13)15(22)18-14(12)21/h2-5,10H,6-9H2,1H3,(H,18,22)
InChIKeyOWJXFHJPHHEPNZ-UHFFFAOYSA-N
XLogP0.56
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-oxo-1H,5H-pyrazolo(1,5-a)quinazoline-3-carboxylate
CID 135407994
2-methyl-4H,5H-pyrazolo[1,5-a]quinazolin-5-one
CID 135512367
Cyclopenta[a]fluorene-4,10-dione, 1-phenyl-5,5a-dihydro-1H-1,2,5,10a-tetraaza-
CID 661148
4-methyl-N-[4-(morpholine-4-carbonyl)-2-phenylpyrazol-3-yl]benzamide
CID 1372063
N-cyclopropyl-3-(1-(3-fluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-ylamino)-4-methylbenzamide
CID 25242389
N-cyclopropyl-3-(7-ethyl-1-(4-fluorophenyl)-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-ylamino)-4-methylbenzamide
CID 25271185
5-amino-N-(2-methyl-5-(methylcarbamoyl)phenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 52946108
18-[3-(4-Methylpiperazine-1-carbonyl)anilino]-2,8,16,17,19,20-hexazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3(22),4,6,14(21),15,18-heptaen-9-one
CID 135907020
2-phenylpyrazolo[1,5-a]quinazolin-5(4H)-one
CID 135939584
Smo-IN-2
CID 147359459
N,N-dimethyl-5-[(3-methylbenzoyl)amino]-1-phenyl-1H-pyrazole-4-carboxamide
CID 700633
(2-fluorophenyl)-N-[1-phenyl-4-(piperidylcarbonyl)pyrazol-5-yl]carboxamide
CID 1284329

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazine-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 3-(4-methylpiperazine-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one (CID 135939654) is 3-(4-methylpiperazine-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 3-(4-methylpiperazine-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 3-(4-methylpiperazine-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one is CN1CCN(C(=O)c2cnn3c2[nH]c(=O)c2ccccc23)CC1.
What is the InChIKey of 3-(4-methylpiperazine-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is OWJXFHJPHHEPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-19-6-8-20(9-7-19)16(23)12-10-17-21-13-5-3-2-4-11(13)15(22)18-14(12)21/h2-5,10H,6-9H2,1H3,(H,18,22).
What are the key properties of 3-(4-methylpiperazine-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
3-(4-methylpiperazine-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 311.34 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazine-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 135939654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).