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

C21H19N5 — CID 651250

IUPAC2-methyl-5-(3-methyl-1-phenylpyrazol-4-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCc1cc2n(n1)C(c1cn(-c3ccccc3)nc1C)Nc1ccccc1-2
InChIInChI=1S/C21H19N5/c1-14-12-20-17-10-6-7-11-19(17)22-21(26(20)23-14)18-13-25(24-15(18)2)16-8-4-3-5-9-16/h3-13,21-22H,1-2H3
InChIKeyPPPUDCRSTSZKGP-UHFFFAOYSA-N
MW341.42 g/mol
LogP4.33
Rot. Bonds2

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

2-methyl-5-(3-methyl-1-phenylpyrazol-4-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline (PubChem CID 651250) has the molecular formula C21H19N5 and a molecular weight of 341.42 g/mol. Its IUPAC name is 2-methyl-5-(3-methyl-1-phenylpyrazol-4-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name2-methyl-5-(3-methyl-1-phenylpyrazol-4-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline
PubChem CID651250
Molecular FormulaC21H19N5
Molecular Weight341.42 g/mol
Exact Mass341.16
IUPAC Name2-methyl-5-(3-methyl-1-phenylpyrazol-4-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCc1cc2n(n1)C(c1cn(-c3ccccc3)nc1C)Nc1ccccc1-2
InChIInChI=1S/C21H19N5/c1-14-12-20-17-10-6-7-11-19(17)22-21(26(20)23-14)18-13-25(24-15(18)2)16-8-4-3-5-9-16/h3-13,21-22H,1-2H3
InChIKeyPPPUDCRSTSZKGP-UHFFFAOYSA-N
XLogP4.33
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-methyl-1-phenylpyrazol-4-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline?
The IUPAC name of 2-methyl-5-(3-methyl-1-phenylpyrazol-4-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline (CID 651250) is 2-methyl-5-(3-methyl-1-phenylpyrazol-4-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline.
What is the SMILES notation for 2-methyl-5-(3-methyl-1-phenylpyrazol-4-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline?
The canonical SMILES for 2-methyl-5-(3-methyl-1-phenylpyrazol-4-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline is Cc1cc2n(n1)C(c1cn(-c3ccccc3)nc1C)Nc1ccccc1-2.
What is the InChIKey of 2-methyl-5-(3-methyl-1-phenylpyrazol-4-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline?
The InChIKey is PPPUDCRSTSZKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5/c1-14-12-20-17-10-6-7-11-19(17)22-21(26(20)23-14)18-13-25(24-15(18)2)16-8-4-3-5-9-16/h3-13,21-22H,1-2H3.
What are the key properties of 2-methyl-5-(3-methyl-1-phenylpyrazol-4-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline?
2-methyl-5-(3-methyl-1-phenylpyrazol-4-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline has a molecular weight of 341.42 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-methyl-1-phenylpyrazol-4-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline is sourced from PubChem (CID 651250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).