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

C17H18N4O3 — CID 136697105

IUPACN-[(2-hydroxycyclopentyl)methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
SMILESO=C(NCC1CCCC1O)c1cnn2c1[nH]c(=O)c1ccccc12
InChIInChI=1S/C17H18N4O3/c22-14-7-3-4-10(14)8-18-16(23)12-9-19-21-13-6-2-1-5-11(13)17(24)20-15(12)21/h1-2,5-6,9-10,14,22H,3-4,7-8H2,(H,18,23)(H,20,24)
InChIKeyHOAAZINSVCUYQN-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.07
Rot. Bonds3

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

N-[(2-hydroxycyclopentyl)methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide (PubChem CID 136697105) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-[(2-hydroxycyclopentyl)methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclopentyl)methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
PubChem CID136697105
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC NameN-[(2-hydroxycyclopentyl)methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
SMILESO=C(NCC1CCCC1O)c1cnn2c1[nH]c(=O)c1ccccc12
InChIInChI=1S/C17H18N4O3/c22-14-7-3-4-10(14)8-18-16(23)12-9-19-21-13-6-2-1-5-11(13)17(24)20-15(12)21/h1-2,5-6,9-10,14,22H,3-4,7-8H2,(H,18,23)(H,20,24)
InChIKeyHOAAZINSVCUYQN-UHFFFAOYSA-N
XLogP1.07
TPSA99.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide?
The IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide (CID 136697105) is N-[(2-hydroxycyclopentyl)methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide.
What is the SMILES notation for N-[(2-hydroxycyclopentyl)methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide?
The canonical SMILES for N-[(2-hydroxycyclopentyl)methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide is O=C(NCC1CCCC1O)c1cnn2c1[nH]c(=O)c1ccccc12.
What is the InChIKey of N-[(2-hydroxycyclopentyl)methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide?
The InChIKey is HOAAZINSVCUYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c22-14-7-3-4-10(14)8-18-16(23)12-9-19-21-13-6-2-1-5-11(13)17(24)20-15(12)21/h1-2,5-6,9-10,14,22H,3-4,7-8H2,(H,18,23)(H,20,24).
What are the key properties of N-[(2-hydroxycyclopentyl)methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide?
N-[(2-hydroxycyclopentyl)methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclopentyl)methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide is sourced from PubChem (CID 136697105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).