5-[(2-hydroxyphenyl)methylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H17N5O2 — CID 66677802

IUPAC5-[(2-hydroxyphenyl)methylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1cnn2ccc(NCc3ccccc3O)nc12
InChIInChI=1S/C20H17N5O2/c26-17-9-5-4-6-14(17)12-21-18-10-11-25-19(24-18)16(13-22-25)20(27)23-15-7-2-1-3-8-15/h1-11,13,26H,12H2,(H,21,24)(H,23,27)
InChIKeyOUFDNDHVBJHSBH-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.30
Rot. Bonds5

About 5-[(2-hydroxyphenyl)methylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[(2-hydroxyphenyl)methylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 66677802) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 5-[(2-hydroxyphenyl)methylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[(2-hydroxyphenyl)methylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID66677802
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name5-[(2-hydroxyphenyl)methylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1cnn2ccc(NCc3ccccc3O)nc12
InChIInChI=1S/C20H17N5O2/c26-17-9-5-4-6-14(17)12-21-18-10-11-25-19(24-18)16(13-22-25)20(27)23-15-7-2-1-3-8-15/h1-11,13,26H,12H2,(H,21,24)(H,23,27)
InChIKeyOUFDNDHVBJHSBH-UHFFFAOYSA-N
XLogP3.30
TPSA91.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-[(2-ethoxyphenyl)methylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66677518
5-(2-hydroxyethylamino)-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66677577
5-[(3-methylimidazol-4-yl)methylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66676454
N-(3-hydroxyphenyl)-5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063125
N-(4-chlorophenyl)-5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063211
N-phenyl-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66677737
N-(3-carbamoylphenyl)-5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66677517
5-[1-(3,5-difluorophenyl)ethylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063195
5-[(2,5-difluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 154402511
5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063418
N-phenylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 46882438
5-[(2,6-dimethoxyphenyl)methylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063283

Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxyphenyl)methylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[(2-hydroxyphenyl)methylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 66677802) is 5-[(2-hydroxyphenyl)methylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[(2-hydroxyphenyl)methylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[(2-hydroxyphenyl)methylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1ccccc1)c1cnn2ccc(NCc3ccccc3O)nc12.
What is the InChIKey of 5-[(2-hydroxyphenyl)methylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OUFDNDHVBJHSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c26-17-9-5-4-6-14(17)12-21-18-10-11-25-19(24-18)16(13-22-25)20(27)23-15-7-2-1-3-8-15/h1-11,13,26H,12H2,(H,21,24)(H,23,27).
What are the key properties of 5-[(2-hydroxyphenyl)methylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[(2-hydroxyphenyl)methylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 3.30, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxyphenyl)methylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66677802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).