N-(2,3-dihydroxy-5-phenylcyclopentyl)-1,5-dimethylpyrazole-3-carboxamide

C17H21N3O3 — CID 78150960

IUPACN-(2,3-dihydroxy-5-phenylcyclopentyl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2C(c3ccccc3)CC(O)C2O)nn1C
InChIInChI=1S/C17H21N3O3/c1-10-8-13(19-20(10)2)17(23)18-15-12(9-14(21)16(15)22)11-6-4-3-5-7-11/h3-8,12,14-16,21-22H,9H2,1-2H3,(H,18,23)
InChIKeyGSPIELSQHVSPQR-UHFFFAOYSA-N
MW315.37 g/mol
LogP0.74
Rot. Bonds3

About N-(2,3-dihydroxy-5-phenylcyclopentyl)-1,5-dimethylpyrazole-3-carboxamide

N-(2,3-dihydroxy-5-phenylcyclopentyl)-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 78150960) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-(2,3-dihydroxy-5-phenylcyclopentyl)-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydroxy-5-phenylcyclopentyl)-1,5-dimethylpyrazole-3-carboxamide
PubChem CID78150960
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-(2,3-dihydroxy-5-phenylcyclopentyl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2C(c3ccccc3)CC(O)C2O)nn1C
InChIInChI=1S/C17H21N3O3/c1-10-8-13(19-20(10)2)17(23)18-15-12(9-14(21)16(15)22)11-6-4-3-5-7-11/h3-8,12,14-16,21-22H,9H2,1-2H3,(H,18,23)
InChIKeyGSPIELSQHVSPQR-UHFFFAOYSA-N
XLogP0.74
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxy-5-phenylcyclopentyl)-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(2,3-dihydroxy-5-phenylcyclopentyl)-1,5-dimethylpyrazole-3-carboxamide (CID 78150960) is N-(2,3-dihydroxy-5-phenylcyclopentyl)-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydroxy-5-phenylcyclopentyl)-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(2,3-dihydroxy-5-phenylcyclopentyl)-1,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NC2C(c3ccccc3)CC(O)C2O)nn1C.
What is the InChIKey of N-(2,3-dihydroxy-5-phenylcyclopentyl)-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is GSPIELSQHVSPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-10-8-13(19-20(10)2)17(23)18-15-12(9-14(21)16(15)22)11-6-4-3-5-7-11/h3-8,12,14-16,21-22H,9H2,1-2H3,(H,18,23).
What are the key properties of N-(2,3-dihydroxy-5-phenylcyclopentyl)-1,5-dimethylpyrazole-3-carboxamide?
N-(2,3-dihydroxy-5-phenylcyclopentyl)-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxy-5-phenylcyclopentyl)-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 78150960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).