(2R)-N-[5-(2-methylphenyl)-1H-pyrazol-3-yl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide

C18H23N3O3 — CID 94391895

IUPAC(2R)-N-[5-(2-methylphenyl)-1H-pyrazol-3-yl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide
SMILESCc1ccccc1-c1cc(NC(=O)[C@@H](C)OC[C@H]2CCCO2)n[nH]1
InChIInChI=1S/C18H23N3O3/c1-12-6-3-4-8-15(12)16-10-17(21-20-16)19-18(22)13(2)24-11-14-7-5-9-23-14/h3-4,6,8,10,13-14H,5,7,9,11H2,1-2H3,(H2,19,20,21,22)/t13-,14-/m1/s1
InChIKeyCTIRNFDIDLMDJO-ZIAGYGMSSA-N
MW329.40 g/mol
LogP2.91
Rot. Bonds6

About (2R)-N-[5-(2-methylphenyl)-1H-pyrazol-3-yl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide

(2R)-N-[5-(2-methylphenyl)-1H-pyrazol-3-yl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide (PubChem CID 94391895) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is (2R)-N-[5-(2-methylphenyl)-1H-pyrazol-3-yl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide.

Molecular Properties

Compound Name(2R)-N-[5-(2-methylphenyl)-1H-pyrazol-3-yl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide
PubChem CID94391895
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name(2R)-N-[5-(2-methylphenyl)-1H-pyrazol-3-yl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide
SMILESCc1ccccc1-c1cc(NC(=O)[C@@H](C)OC[C@H]2CCCO2)n[nH]1
InChIInChI=1S/C18H23N3O3/c1-12-6-3-4-8-15(12)16-10-17(21-20-16)19-18(22)13(2)24-11-14-7-5-9-23-14/h3-4,6,8,10,13-14H,5,7,9,11H2,1-2H3,(H2,19,20,21,22)/t13-,14-/m1/s1
InChIKeyCTIRNFDIDLMDJO-ZIAGYGMSSA-N
XLogP2.91
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-(2-methylphenyl)-1H-pyrazol-3-yl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide?
The IUPAC name of (2R)-N-[5-(2-methylphenyl)-1H-pyrazol-3-yl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide (CID 94391895) is (2R)-N-[5-(2-methylphenyl)-1H-pyrazol-3-yl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide.
What is the SMILES notation for (2R)-N-[5-(2-methylphenyl)-1H-pyrazol-3-yl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide?
The canonical SMILES for (2R)-N-[5-(2-methylphenyl)-1H-pyrazol-3-yl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide is Cc1ccccc1-c1cc(NC(=O)[C@@H](C)OC[C@H]2CCCO2)n[nH]1.
What is the InChIKey of (2R)-N-[5-(2-methylphenyl)-1H-pyrazol-3-yl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide?
The InChIKey is CTIRNFDIDLMDJO-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12-6-3-4-8-15(12)16-10-17(21-20-16)19-18(22)13(2)24-11-14-7-5-9-23-14/h3-4,6,8,10,13-14H,5,7,9,11H2,1-2H3,(H2,19,20,21,22)/t13-,14-/m1/s1.
What are the key properties of (2R)-N-[5-(2-methylphenyl)-1H-pyrazol-3-yl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide?
(2R)-N-[5-(2-methylphenyl)-1H-pyrazol-3-yl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide has a molecular weight of 329.40 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-(2-methylphenyl)-1H-pyrazol-3-yl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide is sourced from PubChem (CID 94391895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).