N-[(1-methylpyrrolidin-3-yl)methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide

C17H19N5O2 — CID 135910421

IUPACN-[(1-methylpyrrolidin-3-yl)methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide
SMILESCN1CCC(CNC(=O)c2cc3[nH]c(=O)c4ccccc4n3n2)C1
InChIInChI=1S/C17H19N5O2/c1-21-7-6-11(10-21)9-18-17(24)13-8-15-19-16(23)12-4-2-3-5-14(12)22(15)20-13/h2-5,8,11H,6-7,9-10H2,1H3,(H,18,24)(H,19,23)
InChIKeyAQCJBKVEOQRKOD-UHFFFAOYSA-N
MW325.37 g/mol
LogP0.86
Rot. Bonds3

About N-[(1-methylpyrrolidin-3-yl)methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide

N-[(1-methylpyrrolidin-3-yl)methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide (PubChem CID 135910421) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[(1-methylpyrrolidin-3-yl)methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide.

Molecular Properties

Compound NameN-[(1-methylpyrrolidin-3-yl)methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide
PubChem CID135910421
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC NameN-[(1-methylpyrrolidin-3-yl)methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide
SMILESCN1CCC(CNC(=O)c2cc3[nH]c(=O)c4ccccc4n3n2)C1
InChIInChI=1S/C17H19N5O2/c1-21-7-6-11(10-21)9-18-17(24)13-8-15-19-16(23)12-4-2-3-5-14(12)22(15)20-13/h2-5,8,11H,6-7,9-10H2,1H3,(H,18,24)(H,19,23)
InChIKeyAQCJBKVEOQRKOD-UHFFFAOYSA-N
XLogP0.86
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrolidin-3-yl)methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide?
The IUPAC name of N-[(1-methylpyrrolidin-3-yl)methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide (CID 135910421) is N-[(1-methylpyrrolidin-3-yl)methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide.
What is the SMILES notation for N-[(1-methylpyrrolidin-3-yl)methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide?
The canonical SMILES for N-[(1-methylpyrrolidin-3-yl)methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide is CN1CCC(CNC(=O)c2cc3[nH]c(=O)c4ccccc4n3n2)C1.
What is the InChIKey of N-[(1-methylpyrrolidin-3-yl)methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide?
The InChIKey is AQCJBKVEOQRKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-21-7-6-11(10-21)9-18-17(24)13-8-15-19-16(23)12-4-2-3-5-14(12)22(15)20-13/h2-5,8,11H,6-7,9-10H2,1H3,(H,18,24)(H,19,23).
What are the key properties of N-[(1-methylpyrrolidin-3-yl)methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide?
N-[(1-methylpyrrolidin-3-yl)methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrolidin-3-yl)methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide is sourced from PubChem (CID 135910421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).