N'-(4-bromobenzoyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide

C20H14BrN5O2 — CID 78886697

IUPACN'-(4-bromobenzoyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide
SMILESO=C(NNC(=O)c1cnn2c(-c3ccccc3)ccnc12)c1ccc(Br)cc1
InChIInChI=1S/C20H14BrN5O2/c21-15-8-6-14(7-9-15)19(27)24-25-20(28)16-12-23-26-17(10-11-22-18(16)26)13-4-2-1-3-5-13/h1-12H,(H,24,27)(H,25,28)
InChIKeyCWWYMEIMBLREFS-UHFFFAOYSA-N
MW436.27 g/mol
LogP3.23
Rot. Bonds3

About N'-(4-bromobenzoyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide

N'-(4-bromobenzoyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide (PubChem CID 78886697) has the molecular formula C20H14BrN5O2 and a molecular weight of 436.27 g/mol. Its IUPAC name is N'-(4-bromobenzoyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4-bromobenzoyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide
PubChem CID78886697
Molecular FormulaC20H14BrN5O2
Molecular Weight436.27 g/mol
Exact Mass435.03
IUPAC NameN'-(4-bromobenzoyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide
SMILESO=C(NNC(=O)c1cnn2c(-c3ccccc3)ccnc12)c1ccc(Br)cc1
InChIInChI=1S/C20H14BrN5O2/c21-15-8-6-14(7-9-15)19(27)24-25-20(28)16-12-23-26-17(10-11-22-18(16)26)13-4-2-1-3-5-13/h1-12H,(H,24,27)(H,25,28)
InChIKeyCWWYMEIMBLREFS-UHFFFAOYSA-N
XLogP3.23
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.27
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(4-bromobenzoyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide?
The IUPAC name of N'-(4-bromobenzoyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide (CID 78886697) is N'-(4-bromobenzoyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide.
What is the SMILES notation for N'-(4-bromobenzoyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide?
The canonical SMILES for N'-(4-bromobenzoyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide is O=C(NNC(=O)c1cnn2c(-c3ccccc3)ccnc12)c1ccc(Br)cc1.
What is the InChIKey of N'-(4-bromobenzoyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide?
The InChIKey is CWWYMEIMBLREFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrN5O2/c21-15-8-6-14(7-9-15)19(27)24-25-20(28)16-12-23-26-17(10-11-22-18(16)26)13-4-2-1-3-5-13/h1-12H,(H,24,27)(H,25,28).
What are the key properties of N'-(4-bromobenzoyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide?
N'-(4-bromobenzoyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide has a molecular weight of 436.27 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromobenzoyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide is sourced from PubChem (CID 78886697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).