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

C22H21N5 — CID 3488511

IUPAC2,7-dimethyl-5-(3-methyl-1-phenylpyrazol-4-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCc1cc2n(n1)C(c1cn(-c3ccccc3)nc1C)Nc1c(C)cccc1-2
InChIInChI=1S/C22H21N5/c1-14-8-7-11-18-20-12-15(2)24-27(20)22(23-21(14)18)19-13-26(25-16(19)3)17-9-5-4-6-10-17/h4-13,22-23H,1-3H3
InChIKeyHFJGFIKIJONBNH-UHFFFAOYSA-N
MW355.45 g/mol
LogP4.63
Rot. Bonds2

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

2,7-dimethyl-5-(3-methyl-1-phenylpyrazol-4-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline (PubChem CID 3488511) has the molecular formula C22H21N5 and a molecular weight of 355.45 g/mol. Its IUPAC name is 2,7-dimethyl-5-(3-methyl-1-phenylpyrazol-4-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name2,7-dimethyl-5-(3-methyl-1-phenylpyrazol-4-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline
PubChem CID3488511
Molecular FormulaC22H21N5
Molecular Weight355.45 g/mol
Exact Mass355.18
IUPAC Name2,7-dimethyl-5-(3-methyl-1-phenylpyrazol-4-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCc1cc2n(n1)C(c1cn(-c3ccccc3)nc1C)Nc1c(C)cccc1-2
InChIInChI=1S/C22H21N5/c1-14-8-7-11-18-20-12-15(2)24-27(20)22(23-21(14)18)19-13-26(25-16(19)3)17-9-5-4-6-10-17/h4-13,22-23H,1-3H3
InChIKeyHFJGFIKIJONBNH-UHFFFAOYSA-N
XLogP4.63
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-5-(3-methyl-1-phenylpyrazol-4-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline?
The IUPAC name of 2,7-dimethyl-5-(3-methyl-1-phenylpyrazol-4-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline (CID 3488511) is 2,7-dimethyl-5-(3-methyl-1-phenylpyrazol-4-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline.
What is the SMILES notation for 2,7-dimethyl-5-(3-methyl-1-phenylpyrazol-4-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline?
The canonical SMILES for 2,7-dimethyl-5-(3-methyl-1-phenylpyrazol-4-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline is Cc1cc2n(n1)C(c1cn(-c3ccccc3)nc1C)Nc1c(C)cccc1-2.
What is the InChIKey of 2,7-dimethyl-5-(3-methyl-1-phenylpyrazol-4-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline?
The InChIKey is HFJGFIKIJONBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5/c1-14-8-7-11-18-20-12-15(2)24-27(20)22(23-21(14)18)19-13-26(25-16(19)3)17-9-5-4-6-10-17/h4-13,22-23H,1-3H3.
What are the key properties of 2,7-dimethyl-5-(3-methyl-1-phenylpyrazol-4-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline?
2,7-dimethyl-5-(3-methyl-1-phenylpyrazol-4-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline has a molecular weight of 355.45 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-5-(3-methyl-1-phenylpyrazol-4-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline is sourced from PubChem (CID 3488511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).