(5S)-5-(1,3-diphenylpyrazol-4-yl)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline

C27H23N5 — CID 136877867

IUPAC(5S)-5-(1,3-diphenylpyrazol-4-yl)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCc1cc2n(n1)[C@@H](c1cn(-c3ccccc3)nc1-c1ccccc1)Nc1c(C)cccc1-2
InChIInChI=1S/C27H23N5/c1-18-10-9-15-22-24-16-19(2)29-32(24)27(28-25(18)22)23-17-31(21-13-7-4-8-14-21)30-26(23)20-11-5-3-6-12-20/h3-17,27-28H,1-2H3/t27-/m0/s1
InChIKeyCPBGSENSNCXNHQ-MHZLTWQESA-N
MW417.52 g/mol
LogP5.99
Rot. Bonds3

About (5S)-5-(1,3-diphenylpyrazol-4-yl)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline

(5S)-5-(1,3-diphenylpyrazol-4-yl)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline (PubChem CID 136877867) has the molecular formula C27H23N5 and a molecular weight of 417.52 g/mol. Its IUPAC name is (5S)-5-(1,3-diphenylpyrazol-4-yl)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name(5S)-5-(1,3-diphenylpyrazol-4-yl)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline
PubChem CID136877867
Molecular FormulaC27H23N5
Molecular Weight417.52 g/mol
Exact Mass417.20
IUPAC Name(5S)-5-(1,3-diphenylpyrazol-4-yl)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCc1cc2n(n1)[C@@H](c1cn(-c3ccccc3)nc1-c1ccccc1)Nc1c(C)cccc1-2
InChIInChI=1S/C27H23N5/c1-18-10-9-15-22-24-16-19(2)29-32(24)27(28-25(18)22)23-17-31(21-13-7-4-8-14-21)30-26(23)20-11-5-3-6-12-20/h3-17,27-28H,1-2H3/t27-/m0/s1
InChIKeyCPBGSENSNCXNHQ-MHZLTWQESA-N
XLogP5.99
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.52
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5S)-5-(1,3-diphenylpyrazol-4-yl)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline with MolForge

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Related Compounds

5-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 4573342
2,7-dimethyl-5-(4-methylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 3905470
8-methyl-2-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one
CID 55598846
3-[(5S)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
CID 1095775
4-tert-butyl-6-(2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)benzene-1,3-diol
CID 3158756
(5S)-2,7,9-trimethyl-5-[2-(trifluoromethyl)phenyl]-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 135689931
1,3,4-triphenylpyrazole
CID 555882
(3S)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-2,3-dihydrophenalen-1-one
CID 8891605
1-(4-chlorophenyl)-4-methyl-3-phenylpyrazole
CID 683196
3-cyclopentyl-2-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one
CID 17440646
4-bromo-2-[(5R)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
CID 982276
8-methyl-2-(1-phenylpyrazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one
CID 42886890

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(1,3-diphenylpyrazol-4-yl)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
The IUPAC name of (5S)-5-(1,3-diphenylpyrazol-4-yl)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline (CID 136877867) is (5S)-5-(1,3-diphenylpyrazol-4-yl)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline.
What is the SMILES notation for (5S)-5-(1,3-diphenylpyrazol-4-yl)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
The canonical SMILES for (5S)-5-(1,3-diphenylpyrazol-4-yl)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline is Cc1cc2n(n1)[C@@H](c1cn(-c3ccccc3)nc1-c1ccccc1)Nc1c(C)cccc1-2.
What is the InChIKey of (5S)-5-(1,3-diphenylpyrazol-4-yl)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
The InChIKey is CPBGSENSNCXNHQ-MHZLTWQESA-N. The full InChI is InChI=1S/C27H23N5/c1-18-10-9-15-22-24-16-19(2)29-32(24)27(28-25(18)22)23-17-31(21-13-7-4-8-14-21)30-26(23)20-11-5-3-6-12-20/h3-17,27-28H,1-2H3/t27-/m0/s1.
What are the key properties of (5S)-5-(1,3-diphenylpyrazol-4-yl)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
(5S)-5-(1,3-diphenylpyrazol-4-yl)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline has a molecular weight of 417.52 g/mol, XLogP of 5.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(1,3-diphenylpyrazol-4-yl)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline is sourced from PubChem (CID 136877867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).