2-(4-bromoanilino)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H14BrN5O — CID 171350081

IUPAC2-(4-bromoanilino)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1c(Nc2ccc(Br)cc2)nn2c(-c3ccccc3)ccnc12
InChIInChI=1S/C19H14BrN5O/c20-13-6-8-14(9-7-13)23-18-16(17(21)26)19-22-11-10-15(25(19)24-18)12-4-2-1-3-5-12/h1-11H,(H2,21,26)(H,23,24)
InChIKeySMQMTCVPVNMLIH-UHFFFAOYSA-N
MW408.26 g/mol
LogP4.00
Rot. Bonds4

About 2-(4-bromoanilino)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

2-(4-bromoanilino)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 171350081) has the molecular formula C19H14BrN5O and a molecular weight of 408.26 g/mol. Its IUPAC name is 2-(4-bromoanilino)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-(4-bromoanilino)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID171350081
Molecular FormulaC19H14BrN5O
Molecular Weight408.26 g/mol
Exact Mass407.04
IUPAC Name2-(4-bromoanilino)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1c(Nc2ccc(Br)cc2)nn2c(-c3ccccc3)ccnc12
InChIInChI=1S/C19H14BrN5O/c20-13-6-8-14(9-7-13)23-18-16(17(21)26)19-22-11-10-15(25(19)24-18)12-4-2-1-3-5-12/h1-11H,(H2,21,26)(H,23,24)
InChIKeySMQMTCVPVNMLIH-UHFFFAOYSA-N
XLogP4.00
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.26
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-(4-bromoanilino)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 171350081) is 2-(4-bromoanilino)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-(4-bromoanilino)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-(4-bromoanilino)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is NC(=O)c1c(Nc2ccc(Br)cc2)nn2c(-c3ccccc3)ccnc12.
What is the InChIKey of 2-(4-bromoanilino)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SMQMTCVPVNMLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN5O/c20-13-6-8-14(9-7-13)23-18-16(17(21)26)19-22-11-10-15(25(19)24-18)12-4-2-1-3-5-12/h1-11H,(H2,21,26)(H,23,24).
What are the key properties of 2-(4-bromoanilino)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-(4-bromoanilino)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 408.26 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 171350081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).