(3S)-N-[(1,3-diphenylpyrazol-4-yl)methyl]oxolane-3-carboxamide

C21H21N3O2 — CID 94799862

IUPAC(3S)-N-[(1,3-diphenylpyrazol-4-yl)methyl]oxolane-3-carboxamide
SMILESO=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)[C@H]1CCOC1
InChIInChI=1S/C21H21N3O2/c25-21(17-11-12-26-15-17)22-13-18-14-24(19-9-5-2-6-10-19)23-20(18)16-7-3-1-4-8-16/h1-10,14,17H,11-13,15H2,(H,22,25)/t17-/m0/s1
InChIKeyLMYCWWJNLOBBNO-KRWDZBQOSA-N
MW347.42 g/mol
LogP3.19
Rot. Bonds5

About (3S)-N-[(1,3-diphenylpyrazol-4-yl)methyl]oxolane-3-carboxamide

(3S)-N-[(1,3-diphenylpyrazol-4-yl)methyl]oxolane-3-carboxamide (PubChem CID 94799862) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is (3S)-N-[(1,3-diphenylpyrazol-4-yl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(1,3-diphenylpyrazol-4-yl)methyl]oxolane-3-carboxamide
PubChem CID94799862
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name(3S)-N-[(1,3-diphenylpyrazol-4-yl)methyl]oxolane-3-carboxamide
SMILESO=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)[C@H]1CCOC1
InChIInChI=1S/C21H21N3O2/c25-21(17-11-12-26-15-17)22-13-18-14-24(19-9-5-2-6-10-19)23-20(18)16-7-3-1-4-8-16/h1-10,14,17H,11-13,15H2,(H,22,25)/t17-/m0/s1
InChIKeyLMYCWWJNLOBBNO-KRWDZBQOSA-N
XLogP3.19
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropanecarbonyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 27864196
N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanecarboxamide
CID 49013807
4-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 27841140
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-nitrocyclopropane-1-carboxamide
CID 47037300
(3R)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]oxolane-3-carboxamide
CID 52507274
1-(1,1-dioxothiolan-3-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 43060109
N-[(2-fluorophenyl)methyl]oxolane-3-carboxamide
CID 47443507
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]cyclopropanecarboxamide
CID 17454174
benzyl 4-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate
CID 60604630
(1,3-diphenylpyrazol-4-yl)methyl 1,4-dioxane-2-carboxylate
CID 71896521
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 43048851
N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]oxolane-3-carboxamide
CID 118780297

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1,3-diphenylpyrazol-4-yl)methyl]oxolane-3-carboxamide?
The IUPAC name of (3S)-N-[(1,3-diphenylpyrazol-4-yl)methyl]oxolane-3-carboxamide (CID 94799862) is (3S)-N-[(1,3-diphenylpyrazol-4-yl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-[(1,3-diphenylpyrazol-4-yl)methyl]oxolane-3-carboxamide?
The canonical SMILES for (3S)-N-[(1,3-diphenylpyrazol-4-yl)methyl]oxolane-3-carboxamide is O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)[C@H]1CCOC1.
What is the InChIKey of (3S)-N-[(1,3-diphenylpyrazol-4-yl)methyl]oxolane-3-carboxamide?
The InChIKey is LMYCWWJNLOBBNO-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H21N3O2/c25-21(17-11-12-26-15-17)22-13-18-14-24(19-9-5-2-6-10-19)23-20(18)16-7-3-1-4-8-16/h1-10,14,17H,11-13,15H2,(H,22,25)/t17-/m0/s1.
What are the key properties of (3S)-N-[(1,3-diphenylpyrazol-4-yl)methyl]oxolane-3-carboxamide?
(3S)-N-[(1,3-diphenylpyrazol-4-yl)methyl]oxolane-3-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1,3-diphenylpyrazol-4-yl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 94799862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).