N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide

C19H23N3O4 — CID 91763075

IUPACN-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
SMILESO=C(N[C@@H]1COCC[C@@H]1OCc1ccccc1)c1n[nH]c2c1COCC2
InChIInChI=1S/C19H23N3O4/c23-19(18-14-11-24-8-6-15(14)21-22-18)20-16-12-25-9-7-17(16)26-10-13-4-2-1-3-5-13/h1-5,16-17H,6-12H2,(H,20,23)(H,21,22)/t16-,17+/m1/s1
InChIKeyIIRSKQJWNADQHG-SJORKVTESA-N
MW357.41 g/mol
LogP1.59
Rot. Bonds5

About N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide

N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide (PubChem CID 91763075) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
PubChem CID91763075
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC NameN-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
SMILESO=C(N[C@@H]1COCC[C@@H]1OCc1ccccc1)c1n[nH]c2c1COCC2
InChIInChI=1S/C19H23N3O4/c23-19(18-14-11-24-8-6-15(14)21-22-18)20-16-12-25-9-7-17(16)26-10-13-4-2-1-3-5-13/h1-5,16-17H,6-12H2,(H,20,23)(H,21,22)/t16-,17+/m1/s1
InChIKeyIIRSKQJWNADQHG-SJORKVTESA-N
XLogP1.59
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide?
The IUPAC name of N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide (CID 91763075) is N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide?
The canonical SMILES for N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide is O=C(N[C@@H]1COCC[C@@H]1OCc1ccccc1)c1n[nH]c2c1COCC2.
What is the InChIKey of N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide?
The InChIKey is IIRSKQJWNADQHG-SJORKVTESA-N. The full InChI is InChI=1S/C19H23N3O4/c23-19(18-14-11-24-8-6-15(14)21-22-18)20-16-12-25-9-7-17(16)26-10-13-4-2-1-3-5-13/h1-5,16-17H,6-12H2,(H,20,23)(H,21,22)/t16-,17+/m1/s1.
What are the key properties of N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide?
N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide is sourced from PubChem (CID 91763075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).