7-(4-bromophenyl)-2-(4-methylanilino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H16BrN5O — CID 171358628

IUPAC7-(4-bromophenyl)-2-(4-methylanilino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(Nc2nn3c(-c4ccc(Br)cc4)ccnc3c2C(N)=O)cc1
InChIInChI=1S/C20H16BrN5O/c1-12-2-8-15(9-3-12)24-19-17(18(22)27)20-23-11-10-16(26(20)25-19)13-4-6-14(21)7-5-13/h2-11H,1H3,(H2,22,27)(H,24,25)
InChIKeyANFURIHLQVYKEB-UHFFFAOYSA-N
MW422.29 g/mol
LogP4.31
Rot. Bonds4

About 7-(4-bromophenyl)-2-(4-methylanilino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(4-bromophenyl)-2-(4-methylanilino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 171358628) has the molecular formula C20H16BrN5O and a molecular weight of 422.29 g/mol. Its IUPAC name is 7-(4-bromophenyl)-2-(4-methylanilino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(4-bromophenyl)-2-(4-methylanilino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID171358628
Molecular FormulaC20H16BrN5O
Molecular Weight422.29 g/mol
Exact Mass421.05
IUPAC Name7-(4-bromophenyl)-2-(4-methylanilino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(Nc2nn3c(-c4ccc(Br)cc4)ccnc3c2C(N)=O)cc1
InChIInChI=1S/C20H16BrN5O/c1-12-2-8-15(9-3-12)24-19-17(18(22)27)20-23-11-10-16(26(20)25-19)13-4-6-14(21)7-5-13/h2-11H,1H3,(H2,22,27)(H,24,25)
InChIKeyANFURIHLQVYKEB-UHFFFAOYSA-N
XLogP4.31
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.29
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 15042087
3-(4-bromophenyl)-2-ethyl-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 66498417
3,7-bis(4-bromophenyl)-2-ethylpyrazolo[1,5-a]pyrimidine
CID 66498472
N'-hydroxy-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboximidamide
CID 177372557
4-[[5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 91017506
7-(2,5-dichlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 14501858
2-anilino-N-(4-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 57386855
N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19408864
N-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46050163
5-(4-bromophenyl)-3-methyl-1,2-thiazole-4-carboxamide
CID 144534164
11-anilino-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carboxamide
CID 171343334
4-N-[3-(4-bromophenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]benzene-1,4-diamine
CID 66703832

Frequently Asked Questions

What is the IUPAC name of 7-(4-bromophenyl)-2-(4-methylanilino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(4-bromophenyl)-2-(4-methylanilino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 171358628) is 7-(4-bromophenyl)-2-(4-methylanilino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(4-bromophenyl)-2-(4-methylanilino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(4-bromophenyl)-2-(4-methylanilino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(Nc2nn3c(-c4ccc(Br)cc4)ccnc3c2C(N)=O)cc1.
What is the InChIKey of 7-(4-bromophenyl)-2-(4-methylanilino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ANFURIHLQVYKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN5O/c1-12-2-8-15(9-3-12)24-19-17(18(22)27)20-23-11-10-16(26(20)25-19)13-4-6-14(21)7-5-13/h2-11H,1H3,(H2,22,27)(H,24,25).
What are the key properties of 7-(4-bromophenyl)-2-(4-methylanilino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(4-bromophenyl)-2-(4-methylanilino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 422.29 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-bromophenyl)-2-(4-methylanilino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 171358628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).