N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-methylpyrazole-3-carboxamide

C18H22N4O5 — CID 118652118

IUPACN-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC[C@H]1OC[C@@](O)(CNC(=O)c2ccccc2)[C@@H]1O
InChIInChI=1S/C18H22N4O5/c1-22-13(7-8-21-22)17(25)19-9-14-15(23)18(26,11-27-14)10-20-16(24)12-5-3-2-4-6-12/h2-8,14-15,23,26H,9-11H2,1H3,(H,19,25)(H,20,24)/t14-,15-,18+/m1/s1
InChIKeyOEBKZQVARQJFNM-RKVPGOIHSA-N
MW374.40 g/mol
LogP-0.93
Rot. Bonds6

About N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-methylpyrazole-3-carboxamide

N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-methylpyrazole-3-carboxamide (PubChem CID 118652118) has the molecular formula C18H22N4O5 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-methylpyrazole-3-carboxamide
PubChem CID118652118
Molecular FormulaC18H22N4O5
Molecular Weight374.40 g/mol
Exact Mass374.16
IUPAC NameN-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC[C@H]1OC[C@@](O)(CNC(=O)c2ccccc2)[C@@H]1O
InChIInChI=1S/C18H22N4O5/c1-22-13(7-8-21-22)17(25)19-9-14-15(23)18(26,11-27-14)10-20-16(24)12-5-3-2-4-6-12/h2-8,14-15,23,26H,9-11H2,1H3,(H,19,25)(H,20,24)/t14-,15-,18+/m1/s1
InChIKeyOEBKZQVARQJFNM-RKVPGOIHSA-N
XLogP-0.93
TPSA125.71 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 5-0.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-methylpyrazole-3-carboxamide (CID 118652118) is N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)NC[C@H]1OC[C@@](O)(CNC(=O)c2ccccc2)[C@@H]1O.
What is the InChIKey of N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is OEBKZQVARQJFNM-RKVPGOIHSA-N. The full InChI is InChI=1S/C18H22N4O5/c1-22-13(7-8-21-22)17(25)19-9-14-15(23)18(26,11-27-14)10-20-16(24)12-5-3-2-4-6-12/h2-8,14-15,23,26H,9-11H2,1H3,(H,19,25)(H,20,24)/t14-,15-,18+/m1/s1.
What are the key properties of N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-methylpyrazole-3-carboxamide?
N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 374.40 g/mol, XLogP of -0.93, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 118652118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).