N-benzyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide

C18H14N4O2 — CID 135925373

IUPACN-benzyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
SMILESO=C(NCc1ccccc1)c1cnn2c1[nH]c(=O)c1ccccc12
InChIInChI=1S/C18H14N4O2/c23-17(19-10-12-6-2-1-3-7-12)14-11-20-22-15-9-5-4-8-13(15)18(24)21-16(14)22/h1-9,11H,10H2,(H,19,23)(H,21,24)
InChIKeyKIGSDIQHALUDSJ-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.11
Rot. Bonds3

About N-benzyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide

N-benzyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide (PubChem CID 135925373) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is N-benzyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
PubChem CID135925373
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC NameN-benzyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
SMILESO=C(NCc1ccccc1)c1cnn2c1[nH]c(=O)c1ccccc12
InChIInChI=1S/C18H14N4O2/c23-17(19-10-12-6-2-1-3-7-12)14-11-20-22-15-9-5-4-8-13(15)18(24)21-16(14)22/h1-9,11H,10H2,(H,19,23)(H,21,24)
InChIKeyKIGSDIQHALUDSJ-UHFFFAOYSA-N
XLogP2.11
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
CID 136902466
N-[2-(2-methoxyethylamino)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
CID 137049992
N-[(2-hydroxycyclopentyl)methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
CID 136697105
(2S)-3-methyl-2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]butanoic acid
CID 137010260
4-methyl-2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]pentanoic acid
CID 136949456
2-cyclopropyl-2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]acetic acid
CID 136931713
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
CID 137199377
2-[cyclopropyl-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]acetic acid
CID 136990430
2-[butan-2-yl-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]acetic acid
CID 137108636
5-oxo-N-[(3S)-piperidin-3-yl]-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
CID 137127730
3-(piperazine-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 135925377
3-(imidazole-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 135925379

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide?
The IUPAC name of N-benzyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide (CID 135925373) is N-benzyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide.
What is the SMILES notation for N-benzyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide?
The canonical SMILES for N-benzyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide is O=C(NCc1ccccc1)c1cnn2c1[nH]c(=O)c1ccccc12.
What is the InChIKey of N-benzyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide?
The InChIKey is KIGSDIQHALUDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c23-17(19-10-12-6-2-1-3-7-12)14-11-20-22-15-9-5-4-8-13(15)18(24)21-16(14)22/h1-9,11H,10H2,(H,19,23)(H,21,24).
What are the key properties of N-benzyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide?
N-benzyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide has a molecular weight of 318.34 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide is sourced from PubChem (CID 135925373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).