N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine

C21H22N4O — CID 94874302

IUPACN-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
SMILESCOc1ccc(C)cc1[C@@H](C)Nc1nc2cc(C)nn2c2ccccc12
InChIInChI=1S/C21H22N4O/c1-13-9-10-19(26-4)17(11-13)15(3)22-21-16-7-5-6-8-18(16)25-20(23-21)12-14(2)24-25/h5-12,15H,1-4H3,(H,22,23)/t15-/m1/s1
InChIKeyHEOMLVQHJSDSNM-OAHLLOKOSA-N
MW346.43 g/mol
LogP4.68
Rot. Bonds4

About N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine

N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine (PubChem CID 94874302) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
PubChem CID94874302
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
SMILESCOc1ccc(C)cc1[C@@H](C)Nc1nc2cc(C)nn2c2ccccc12
InChIInChI=1S/C21H22N4O/c1-13-9-10-19(26-4)17(11-13)15(3)22-21-16-7-5-6-8-18(16)25-20(23-21)12-14(2)24-25/h5-12,15H,1-4H3,(H,22,23)/t15-/m1/s1
InChIKeyHEOMLVQHJSDSNM-OAHLLOKOSA-N
XLogP4.68
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
CID 8890761
2-methyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]quinazolin-5-amine
CID 8892490
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
N-[(2-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
CID 8850825
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
CID 71896337
2-methyl-N-[(4-methylphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-amine
CID 8850832
2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 43106627
N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridin-3-amine
CID 43190608
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 26017877
3-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazol-4-amine
CID 103932597
(2-methoxy-5-methylphenyl)-(1-methylindazol-3-yl)methanamine
CID 103127012

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine (CID 94874302) is N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine is COc1ccc(C)cc1[C@@H](C)Nc1nc2cc(C)nn2c2ccccc12.
What is the InChIKey of N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine?
The InChIKey is HEOMLVQHJSDSNM-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H22N4O/c1-13-9-10-19(26-4)17(11-13)15(3)22-21-16-7-5-6-8-18(16)25-20(23-21)12-14(2)24-25/h5-12,15H,1-4H3,(H,22,23)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine?
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine has a molecular weight of 346.43 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 94874302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).