N-[1-(dimethylamino)propan-2-yl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide

C16H19N5O2 — CID 135910425

IUPACN-[1-(dimethylamino)propan-2-yl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide
SMILESCC(CN(C)C)NC(=O)c1cc2[nH]c(=O)c3ccccc3n2n1
InChIInChI=1S/C16H19N5O2/c1-10(9-20(2)3)17-16(23)12-8-14-18-15(22)11-6-4-5-7-13(11)21(14)19-12/h4-8,10H,9H2,1-3H3,(H,17,23)(H,18,22)
InChIKeyJTBQZVKPIUUZGK-UHFFFAOYSA-N
MW313.36 g/mol
LogP0.86
Rot. Bonds4

About N-[1-(dimethylamino)propan-2-yl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide

N-[1-(dimethylamino)propan-2-yl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide (PubChem CID 135910425) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[1-(dimethylamino)propan-2-yl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)propan-2-yl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide
PubChem CID135910425
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC NameN-[1-(dimethylamino)propan-2-yl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide
SMILESCC(CN(C)C)NC(=O)c1cc2[nH]c(=O)c3ccccc3n2n1
InChIInChI=1S/C16H19N5O2/c1-10(9-20(2)3)17-16(23)12-8-14-18-15(22)11-6-4-5-7-13(11)21(14)19-12/h4-8,10H,9H2,1-3H3,(H,17,23)(H,18,22)
InChIKeyJTBQZVKPIUUZGK-UHFFFAOYSA-N
XLogP0.86
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
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-(dimethylamino)propan-2-yl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide?
The IUPAC name of N-[1-(dimethylamino)propan-2-yl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide (CID 135910425) is N-[1-(dimethylamino)propan-2-yl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide.
What is the SMILES notation for N-[1-(dimethylamino)propan-2-yl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide?
The canonical SMILES for N-[1-(dimethylamino)propan-2-yl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide is CC(CN(C)C)NC(=O)c1cc2[nH]c(=O)c3ccccc3n2n1.
What is the InChIKey of N-[1-(dimethylamino)propan-2-yl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide?
The InChIKey is JTBQZVKPIUUZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-10(9-20(2)3)17-16(23)12-8-14-18-15(22)11-6-4-5-7-13(11)21(14)19-12/h4-8,10H,9H2,1-3H3,(H,17,23)(H,18,22).
What are the key properties of N-[1-(dimethylamino)propan-2-yl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide?
N-[1-(dimethylamino)propan-2-yl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)propan-2-yl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide is sourced from PubChem (CID 135910425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).