N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine

C20H20N4O — CID 8890761

IUPACN-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
SMILESCOc1ccccc1[C@H](C)Nc1nc2cc(C)nn2c2ccccc12
InChIInChI=1S/C20H20N4O/c1-13-12-19-22-20(16-9-4-6-10-17(16)24(19)23-13)21-14(2)15-8-5-7-11-18(15)25-3/h4-12,14H,1-3H3,(H,21,22)/t14-/m0/s1
InChIKeyBLYZWPBWFYOIJH-AWEZNQCLSA-N
MW332.41 g/mol
LogP4.37
Rot. Bonds4

About N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine

N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine (PubChem CID 8890761) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound NameN-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
PubChem CID8890761
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
SMILESCOc1ccccc1[C@H](C)Nc1nc2cc(C)nn2c2ccccc12
InChIInChI=1S/C20H20N4O/c1-13-12-19-22-20(16-9-4-6-10-17(16)24(19)23-13)21-14(2)15-8-5-7-11-18(15)25-3/h4-12,14H,1-3H3,(H,21,22)/t14-/m0/s1
InChIKeyBLYZWPBWFYOIJH-AWEZNQCLSA-N
XLogP4.37
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
CID 94874302
2-methyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]quinazolin-5-amine
CID 8892490
N-[(2-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
CID 8850825
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
CID 8890755
2-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyrazolo[1,5-a]quinazolin-5-amine
CID 95068261
2-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-amine
CID 71891768
2-methyl-N-[(4-methylphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-amine
CID 8850832
N-[2-(2-methoxyphenoxy)ethyl]-N,2-dimethylpyrazolo[1,5-a]quinazolin-5-amine
CID 51119804
N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
CID 95781512
N-[(3,4-dichlorophenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
CID 172862616
5-(4-bromo-2-fluorophenoxy)-2-methylpyrazolo[1,5-a]quinazoline
CID 8853006
N-[(1S)-1-(2-methoxyphenyl)ethyl]-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 95799451

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine (CID 8890761) is N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine is COc1ccccc1[C@H](C)Nc1nc2cc(C)nn2c2ccccc12.
What is the InChIKey of N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine?
The InChIKey is BLYZWPBWFYOIJH-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H20N4O/c1-13-12-19-22-20(16-9-4-6-10-17(16)24(19)23-13)21-14(2)15-8-5-7-11-18(15)25-3/h4-12,14H,1-3H3,(H,21,22)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine?
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine has a molecular weight of 332.41 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 8890761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).