N-(1-ethylpyrazol-3-yl)-8-methyl-9-[(3-methylphenyl)methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine

C23H25N7 — CID 56602908

IUPACN-(1-ethylpyrazol-3-yl)-8-methyl-9-[(3-methylphenyl)methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
SMILESCCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2Cc2cccc(C)c2)CC3)n1
InChIInChI=1S/C23H25N7/c1-4-30-11-10-20(28-30)25-23-24-14-17-8-9-18-21(22(17)26-23)19(29(3)27-18)13-16-7-5-6-15(2)12-16/h5-7,10-12,14H,4,8-9,13H2,1-3H3,(H,24,25,26,28)
InChIKeyNTQFNBBTNKJHDU-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.83
Rot. Bonds5

About N-(1-ethylpyrazol-3-yl)-8-methyl-9-[(3-methylphenyl)methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine

N-(1-ethylpyrazol-3-yl)-8-methyl-9-[(3-methylphenyl)methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine (PubChem CID 56602908) has the molecular formula C23H25N7 and a molecular weight of 399.50 g/mol. Its IUPAC name is N-(1-ethylpyrazol-3-yl)-8-methyl-9-[(3-methylphenyl)methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine.

Molecular Properties

Compound NameN-(1-ethylpyrazol-3-yl)-8-methyl-9-[(3-methylphenyl)methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
PubChem CID56602908
Molecular FormulaC23H25N7
Molecular Weight399.50 g/mol
Exact Mass399.22
IUPAC NameN-(1-ethylpyrazol-3-yl)-8-methyl-9-[(3-methylphenyl)methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
SMILESCCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2Cc2cccc(C)c2)CC3)n1
InChIInChI=1S/C23H25N7/c1-4-30-11-10-20(28-30)25-23-24-14-17-8-9-18-21(22(17)26-23)19(29(3)27-18)13-16-7-5-6-15(2)12-16/h5-7,10-12,14H,4,8-9,13H2,1-3H3,(H,24,25,26,28)
InChIKeyNTQFNBBTNKJHDU-UHFFFAOYSA-N
XLogP3.83
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-3-yl)-8-methyl-9-[(3-methylphenyl)methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
The IUPAC name of N-(1-ethylpyrazol-3-yl)-8-methyl-9-[(3-methylphenyl)methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine (CID 56602908) is N-(1-ethylpyrazol-3-yl)-8-methyl-9-[(3-methylphenyl)methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine.
What is the SMILES notation for N-(1-ethylpyrazol-3-yl)-8-methyl-9-[(3-methylphenyl)methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
The canonical SMILES for N-(1-ethylpyrazol-3-yl)-8-methyl-9-[(3-methylphenyl)methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine is CCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2Cc2cccc(C)c2)CC3)n1.
What is the InChIKey of N-(1-ethylpyrazol-3-yl)-8-methyl-9-[(3-methylphenyl)methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
The InChIKey is NTQFNBBTNKJHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7/c1-4-30-11-10-20(28-30)25-23-24-14-17-8-9-18-21(22(17)26-23)19(29(3)27-18)13-16-7-5-6-15(2)12-16/h5-7,10-12,14H,4,8-9,13H2,1-3H3,(H,24,25,26,28).
What are the key properties of N-(1-ethylpyrazol-3-yl)-8-methyl-9-[(3-methylphenyl)methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
N-(1-ethylpyrazol-3-yl)-8-methyl-9-[(3-methylphenyl)methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine has a molecular weight of 399.50 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-3-yl)-8-methyl-9-[(3-methylphenyl)methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine is sourced from PubChem (CID 56602908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).