5-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline

C28H25N5O2 — CID 4573342

IUPAC5-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C2Nc3ccccc3-c3cc(C)nn32)cc1OC
InChIInChI=1S/C28H25N5O2/c1-18-15-24-21-11-7-8-12-23(21)29-28(33(24)30-18)22-17-32(20-9-5-4-6-10-20)31-27(22)19-13-14-25(34-2)26(16-19)35-3/h4-17,28-29H,1-3H3
InChIKeyLBLPNVBCAOOCTM-UHFFFAOYSA-N
MW463.54 g/mol
LogP5.70
Rot. Bonds5

About 5-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline

5-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline (PubChem CID 4573342) has the molecular formula C28H25N5O2 and a molecular weight of 463.54 g/mol. Its IUPAC name is 5-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name5-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
PubChem CID4573342
Molecular FormulaC28H25N5O2
Molecular Weight463.54 g/mol
Exact Mass463.20
IUPAC Name5-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C2Nc3ccccc3-c3cc(C)nn32)cc1OC
InChIInChI=1S/C28H25N5O2/c1-18-15-24-21-11-7-8-12-23(21)29-28(33(24)30-18)22-17-32(20-9-5-4-6-10-20)31-27(22)19-13-14-25(34-2)26(16-19)35-3/h4-17,28-29H,1-3H3
InChIKeyLBLPNVBCAOOCTM-UHFFFAOYSA-N
XLogP5.70
TPSA66.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.54
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(5S)-5-(1,3-diphenylpyrazol-4-yl)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 136877867
2-methoxy-6-[(5R)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
CID 1095521
(7S)-7-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 2428379
5-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 3589959
5-(4-methoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 3158652
(2R)-2-[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-3-cyclopropyl-1,2-dihydroquinazolin-4-one
CID 41209592
[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methanol
CID 883556
4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxylic acid
CID 1478012
4-bromo-2-[(5R)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
CID 982276
2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinolin-4-one
CID 102470522
3-(3,4-dimethoxyphenyl)-1-phenyl-4-[(3R)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]pyrazole
CID 41316765
N-(cyclopropylmethyl)-3-(3,4-dimethoxyphenyl)-N-ethyl-1-phenylpyrazole-4-carboxamide
CID 86939949

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
The IUPAC name of 5-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline (CID 4573342) is 5-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline.
What is the SMILES notation for 5-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
The canonical SMILES for 5-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline is COc1ccc(-c2nn(-c3ccccc3)cc2C2Nc3ccccc3-c3cc(C)nn32)cc1OC.
What is the InChIKey of 5-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
The InChIKey is LBLPNVBCAOOCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O2/c1-18-15-24-21-11-7-8-12-23(21)29-28(33(24)30-18)22-17-32(20-9-5-4-6-10-20)31-27(22)19-13-14-25(34-2)26(16-19)35-3/h4-17,28-29H,1-3H3.
What are the key properties of 5-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
5-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline has a molecular weight of 463.54 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline is sourced from PubChem (CID 4573342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).