[3-(4-chlorophenyl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]hydrazine

C19H16ClN5 — CID 4900052

IUPAC[3-(4-chlorophenyl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]hydrazine
SMILESCc1nn2c(NN)cc(-c3ccccc3)nc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClN5/c1-12-18(14-7-9-15(20)10-8-14)19-22-16(13-5-3-2-4-6-13)11-17(23-21)25(19)24-12/h2-11,23H,21H2,1H3
InChIKeyVUNPVDCVHVONIB-UHFFFAOYSA-N
MW349.83 g/mol
LogP4.31
Rot. Bonds3

About [3-(4-chlorophenyl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]hydrazine

[3-(4-chlorophenyl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]hydrazine (PubChem CID 4900052) has the molecular formula C19H16ClN5 and a molecular weight of 349.83 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]hydrazine.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]hydrazine
PubChem CID4900052
Molecular FormulaC19H16ClN5
Molecular Weight349.83 g/mol
Exact Mass349.11
IUPAC Name[3-(4-chlorophenyl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]hydrazine
SMILESCc1nn2c(NN)cc(-c3ccccc3)nc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClN5/c1-12-18(14-7-9-15(20)10-8-14)19-22-16(13-5-3-2-4-6-13)11-17(23-21)25(19)24-12/h2-11,23H,21H2,1H3
InChIKeyVUNPVDCVHVONIB-UHFFFAOYSA-N
XLogP4.31
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.83
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)-2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine
CID 3802120
3-(4-chlorophenyl)-7-(3,5-dimethylpyrazol-1-yl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidine
CID 4969997
2-methyl-3,5-diphenyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 17172566
3-(4-chlorophenyl)-2,5-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 5213569
5-tert-butyl-3-(4-chlorophenyl)-2-methyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 7740727
3-(4-chlorophenyl)-2,5-dimethyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 4639362
ethyl 7-(4-chlorophenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 42877153
N-butyl-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3815077
5,7-dichloro-3-(4-chlorophenyl)-2,6-dimethylpyrazolo[1,5-a]pyrimidine
CID 82274661
methyl 5-(2,4-dichlorophenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 19916128
ethane;methane;2-methyl-5-(4-methylphenyl)-7-(4-methylpiperazin-1-yl)-3-phenylpyrazolo[1,5-a]pyrimidine
CID 163269415
4-(2-methyl-3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 8741337

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]hydrazine?
The IUPAC name of [3-(4-chlorophenyl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]hydrazine (CID 4900052) is [3-(4-chlorophenyl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]hydrazine.
What is the SMILES notation for [3-(4-chlorophenyl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]hydrazine?
The canonical SMILES for [3-(4-chlorophenyl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]hydrazine is Cc1nn2c(NN)cc(-c3ccccc3)nc2c1-c1ccc(Cl)cc1.
What is the InChIKey of [3-(4-chlorophenyl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]hydrazine?
The InChIKey is VUNPVDCVHVONIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5/c1-12-18(14-7-9-15(20)10-8-14)19-22-16(13-5-3-2-4-6-13)11-17(23-21)25(19)24-12/h2-11,23H,21H2,1H3.
What are the key properties of [3-(4-chlorophenyl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]hydrazine?
[3-(4-chlorophenyl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]hydrazine has a molecular weight of 349.83 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]hydrazine is sourced from PubChem (CID 4900052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).