N-(2-hydroxy-1-phenylethyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide

C19H17N3O3 — CID 91820892

IUPACN-(2-hydroxy-1-phenylethyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
SMILESO=C(NC(CO)c1ccccc1)c1[nH]nc2c1COc1ccccc1-2
InChIInChI=1S/C19H17N3O3/c23-10-15(12-6-2-1-3-7-12)20-19(24)18-14-11-25-16-9-5-4-8-13(16)17(14)21-22-18/h1-9,15,23H,10-11H2,(H,20,24)(H,21,22)
InChIKeySJIUXWJNCPCKPW-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.43
Rot. Bonds4

About N-(2-hydroxy-1-phenylethyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide

N-(2-hydroxy-1-phenylethyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide (PubChem CID 91820892) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-(2-hydroxy-1-phenylethyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-phenylethyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
PubChem CID91820892
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC NameN-(2-hydroxy-1-phenylethyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
SMILESO=C(NC(CO)c1ccccc1)c1[nH]nc2c1COc1ccccc1-2
InChIInChI=1S/C19H17N3O3/c23-10-15(12-6-2-1-3-7-12)20-19(24)18-14-11-25-16-9-5-4-8-13(16)17(14)21-22-18/h1-9,15,23H,10-11H2,(H,20,24)(H,21,22)
InChIKeySJIUXWJNCPCKPW-UHFFFAOYSA-N
XLogP2.43
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-phenylethyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide?
The IUPAC name of N-(2-hydroxy-1-phenylethyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide (CID 91820892) is N-(2-hydroxy-1-phenylethyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-1-phenylethyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-1-phenylethyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide is O=C(NC(CO)c1ccccc1)c1[nH]nc2c1COc1ccccc1-2.
What is the InChIKey of N-(2-hydroxy-1-phenylethyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide?
The InChIKey is SJIUXWJNCPCKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c23-10-15(12-6-2-1-3-7-12)20-19(24)18-14-11-25-16-9-5-4-8-13(16)17(14)21-22-18/h1-9,15,23H,10-11H2,(H,20,24)(H,21,22).
What are the key properties of N-(2-hydroxy-1-phenylethyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide?
N-(2-hydroxy-1-phenylethyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 2.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-phenylethyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide is sourced from PubChem (CID 91820892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).