N-[(3R,4R)-4-[4-(hydroxymethyl)phenoxy]oxan-3-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C19H23N3O4 — CID 91762021

IUPACN-[(3R,4R)-4-[4-(hydroxymethyl)phenoxy]oxan-3-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(N[C@@H]1COCC[C@H]1Oc1ccc(CO)cc1)c1n[nH]c2c1CCC2
InChIInChI=1S/C19H23N3O4/c23-10-12-4-6-13(7-5-12)26-17-8-9-25-11-16(17)20-19(24)18-14-2-1-3-15(14)21-22-18/h4-7,16-17,23H,1-3,8-11H2,(H,20,24)(H,21,22)/t16-,17-/m1/s1
InChIKeyPUWLCIGIQFQSBC-IAGOWNOFSA-N
MW357.41 g/mol
LogP1.36
Rot. Bonds5

About N-[(3R,4R)-4-[4-(hydroxymethyl)phenoxy]oxan-3-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-[(3R,4R)-4-[4-(hydroxymethyl)phenoxy]oxan-3-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 91762021) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[(3R,4R)-4-[4-(hydroxymethyl)phenoxy]oxan-3-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-[4-(hydroxymethyl)phenoxy]oxan-3-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID91762021
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC NameN-[(3R,4R)-4-[4-(hydroxymethyl)phenoxy]oxan-3-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(N[C@@H]1COCC[C@H]1Oc1ccc(CO)cc1)c1n[nH]c2c1CCC2
InChIInChI=1S/C19H23N3O4/c23-10-12-4-6-13(7-5-12)26-17-8-9-25-11-16(17)20-19(24)18-14-2-1-3-15(14)21-22-18/h4-7,16-17,23H,1-3,8-11H2,(H,20,24)(H,21,22)/t16-,17-/m1/s1
InChIKeyPUWLCIGIQFQSBC-IAGOWNOFSA-N
XLogP1.36
TPSA96.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(3R,4R)-4-[4-(hydroxymethyl)phenoxy]oxan-3-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-[4-(hydroxymethyl)phenoxy]oxan-3-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[(3R,4R)-4-[4-(hydroxymethyl)phenoxy]oxan-3-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 91762021) is N-[(3R,4R)-4-[4-(hydroxymethyl)phenoxy]oxan-3-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(3R,4R)-4-[4-(hydroxymethyl)phenoxy]oxan-3-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[(3R,4R)-4-[4-(hydroxymethyl)phenoxy]oxan-3-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is O=C(N[C@@H]1COCC[C@H]1Oc1ccc(CO)cc1)c1n[nH]c2c1CCC2.
What is the InChIKey of N-[(3R,4R)-4-[4-(hydroxymethyl)phenoxy]oxan-3-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is PUWLCIGIQFQSBC-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H23N3O4/c23-10-12-4-6-13(7-5-12)26-17-8-9-25-11-16(17)20-19(24)18-14-2-1-3-15(14)21-22-18/h4-7,16-17,23H,1-3,8-11H2,(H,20,24)(H,21,22)/t16-,17-/m1/s1.
What are the key properties of N-[(3R,4R)-4-[4-(hydroxymethyl)phenoxy]oxan-3-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-[(3R,4R)-4-[4-(hydroxymethyl)phenoxy]oxan-3-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-[4-(hydroxymethyl)phenoxy]oxan-3-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 91762021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).