3-(3-chlorophenyl)-N-[2-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide

C20H15ClN4O2 — CID 58628324

IUPAC3-(3-chlorophenyl)-N-[2-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1CO)c1ccn2ncc(-c3cccc(Cl)c3)c2n1
InChIInChI=1S/C20H15ClN4O2/c21-15-6-3-5-13(10-15)16-11-22-25-9-8-18(23-19(16)25)20(27)24-17-7-2-1-4-14(17)12-26/h1-11,26H,12H2,(H,24,27)
InChIKeyRABQLAHMMVKPCQ-UHFFFAOYSA-N
MW378.82 g/mol
LogP3.79
Rot. Bonds4

About 3-(3-chlorophenyl)-N-[2-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide

3-(3-chlorophenyl)-N-[2-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 58628324) has the molecular formula C20H15ClN4O2 and a molecular weight of 378.82 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[2-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[2-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID58628324
Molecular FormulaC20H15ClN4O2
Molecular Weight378.82 g/mol
Exact Mass378.09
IUPAC Name3-(3-chlorophenyl)-N-[2-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1CO)c1ccn2ncc(-c3cccc(Cl)c3)c2n1
InChIInChI=1S/C20H15ClN4O2/c21-15-6-3-5-13(10-15)16-11-22-25-9-8-18(23-19(16)25)20(27)24-17-7-2-1-4-14(17)12-26/h1-11,26H,12H2,(H,24,27)
InChIKeyRABQLAHMMVKPCQ-UHFFFAOYSA-N
XLogP3.79
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[2-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 3-(3-chlorophenyl)-N-[2-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 58628324) is 3-(3-chlorophenyl)-N-[2-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[2-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-[2-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide is O=C(Nc1ccccc1CO)c1ccn2ncc(-c3cccc(Cl)c3)c2n1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[2-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is RABQLAHMMVKPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O2/c21-15-6-3-5-13(10-15)16-11-22-25-9-8-18(23-19(16)25)20(27)24-17-7-2-1-4-14(17)12-26/h1-11,26H,12H2,(H,24,27).
What are the key properties of 3-(3-chlorophenyl)-N-[2-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
3-(3-chlorophenyl)-N-[2-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 378.82 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[2-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 58628324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).