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

C21H15ClN6O2 — CID 136902466

IUPACN-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
SMILESO=C(NCc1cnn(-c2ccc(Cl)cc2)c1)c1cnn2c1[nH]c(=O)c1ccccc12
InChIInChI=1S/C21H15ClN6O2/c22-14-5-7-15(8-6-14)27-12-13(10-24-27)9-23-20(29)17-11-25-28-18-4-2-1-3-16(18)21(30)26-19(17)28/h1-8,10-12H,9H2,(H,23,29)(H,26,30)
InChIKeyHINGGNKMGAFXSS-UHFFFAOYSA-N
MW418.84 g/mol
LogP2.94
Rot. Bonds4

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

N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide (PubChem CID 136902466) has the molecular formula C21H15ClN6O2 and a molecular weight of 418.84 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
PubChem CID136902466
Molecular FormulaC21H15ClN6O2
Molecular Weight418.84 g/mol
Exact Mass418.09
IUPAC NameN-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
SMILESO=C(NCc1cnn(-c2ccc(Cl)cc2)c1)c1cnn2c1[nH]c(=O)c1ccccc12
InChIInChI=1S/C21H15ClN6O2/c22-14-5-7-15(8-6-14)27-12-13(10-24-27)9-23-20(29)17-11-25-28-18-4-2-1-3-16(18)21(30)26-19(17)28/h1-8,10-12H,9H2,(H,23,29)(H,26,30)
InChIKeyHINGGNKMGAFXSS-UHFFFAOYSA-N
XLogP2.94
TPSA97.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.84
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide with MolForge

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Related Compounds

N-benzyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
CID 135925373
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 86968538
2,3-dichloro-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]benzamide
CID 86968465
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-phenoxybutanamide
CID 86968573
N-[(2-hydroxycyclopentyl)methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
CID 136697105
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-benzofuran-2-carboxamide
CID 86968691
2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]furan-3-carboxamide
CID 106685695
(2S)-3-methyl-2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]butanoic acid
CID 137010260
4-(4-chlorophenyl)-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-oxobutanamide
CID 86968466
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-6-nitro-2-oxo-1H-quinoline-4-carboxamide
CID 86968318
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 86968301
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 136902468

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide?
The IUPAC name of N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide (CID 136902466) is N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide.
What is the SMILES notation for N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide?
The canonical SMILES for N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide is O=C(NCc1cnn(-c2ccc(Cl)cc2)c1)c1cnn2c1[nH]c(=O)c1ccccc12.
What is the InChIKey of N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide?
The InChIKey is HINGGNKMGAFXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN6O2/c22-14-5-7-15(8-6-14)27-12-13(10-24-27)9-23-20(29)17-11-25-28-18-4-2-1-3-16(18)21(30)26-19(17)28/h1-8,10-12H,9H2,(H,23,29)(H,26,30).
What are the key properties of N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide?
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide has a molecular weight of 418.84 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide is sourced from PubChem (CID 136902466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).