3-bromo-N-(4-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C19H15BrN4 — CID 118131950

IUPAC3-bromo-N-(4-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccc(Nc2cc(-c3ccccc3)nc3c(Br)cnn23)cc1
InChIInChI=1S/C19H15BrN4/c1-13-7-9-15(10-8-13)22-18-11-17(14-5-3-2-4-6-14)23-19-16(20)12-21-24(18)19/h2-12,22H,1H3
InChIKeyYNFZHSVQROQKIC-UHFFFAOYSA-N
MW379.26 g/mol
LogP5.21
Rot. Bonds3

About 3-bromo-N-(4-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

3-bromo-N-(4-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 118131950) has the molecular formula C19H15BrN4 and a molecular weight of 379.26 g/mol. Its IUPAC name is 3-bromo-N-(4-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-bromo-N-(4-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID118131950
Molecular FormulaC19H15BrN4
Molecular Weight379.26 g/mol
Exact Mass378.05
IUPAC Name3-bromo-N-(4-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccc(Nc2cc(-c3ccccc3)nc3c(Br)cnn23)cc1
InChIInChI=1S/C19H15BrN4/c1-13-7-9-15(10-8-13)22-18-11-17(14-5-3-2-4-6-14)23-19-16(20)12-21-24(18)19/h2-12,22H,1H3
InChIKeyYNFZHSVQROQKIC-UHFFFAOYSA-N
XLogP5.21
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.26
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N'-methylbenzenesulfonohydrazide
CID 71192931
N-[4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]sulfanyl-N',N'-dimethylethane-1,2-diamine
CID 142876629
N-(2-aminoethyl)-4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide
CID 10480592
3-bromo-N-[4-(cyclohexylamino)sulfanylphenyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 142876582
4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;bis(4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(2-hydroxyethyl)benzenesulfonamide);4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methylbenzenesulfonamide
CID 159067572
3-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(2-hydroxypropyl)benzenesulfinamide
CID 142876703
3-bromo-5-(2-chlorophenyl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 10435170
3-bromo-7-chloro-5-phenylpyrazolo[1,5-a]pyrimidine;3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 158192871
N-(1,3-dihydroxypropan-2-yl)-4-[(3-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide
CID 71192990
methyl 3-bromo-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 19916288
N-(4-butylphenyl)-3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4893914
1-[3-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]pyrrolidin-2-one
CID 91305302

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-bromo-N-(4-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 118131950) is 3-bromo-N-(4-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-bromo-N-(4-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-bromo-N-(4-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1ccc(Nc2cc(-c3ccccc3)nc3c(Br)cnn23)cc1.
What is the InChIKey of 3-bromo-N-(4-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is YNFZHSVQROQKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN4/c1-13-7-9-15(10-8-13)22-18-11-17(14-5-3-2-4-6-14)23-19-16(20)12-21-24(18)19/h2-12,22H,1H3.
What are the key properties of 3-bromo-N-(4-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
3-bromo-N-(4-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 379.26 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 118131950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).