N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3-phenyl-1H-pyrazole-5-carboxamide

C16H19N3O3 — CID 71785687

IUPACN-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CC(O)C(CO)C1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C16H19N3O3/c20-9-11-6-12(7-15(11)21)17-16(22)14-8-13(18-19-14)10-4-2-1-3-5-10/h1-5,8,11-12,15,20-21H,6-7,9H2,(H,17,22)(H,18,19)
InChIKeyUZYPTTZDNVZLMP-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.94
Rot. Bonds4

About N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3-phenyl-1H-pyrazole-5-carboxamide

N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 71785687) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID71785687
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CC(O)C(CO)C1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C16H19N3O3/c20-9-11-6-12(7-15(11)21)17-16(22)14-8-13(18-19-14)10-4-2-1-3-5-10/h1-5,8,11-12,15,20-21H,6-7,9H2,(H,17,22)(H,18,19)
InChIKeyUZYPTTZDNVZLMP-UHFFFAOYSA-N
XLogP0.94
TPSA98.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3-phenyl-1H-pyrazole-5-carboxamide (CID 71785687) is N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3-phenyl-1H-pyrazole-5-carboxamide is O=C(NC1CC(O)C(CO)C1)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is UZYPTTZDNVZLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c20-9-11-6-12(7-15(11)21)17-16(22)14-8-13(18-19-14)10-4-2-1-3-5-10/h1-5,8,11-12,15,20-21H,6-7,9H2,(H,17,22)(H,18,19).
What are the key properties of N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3-phenyl-1H-pyrazole-5-carboxamide?
N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 0.94, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 71785687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).