4-(1,3-dimethylpyrazol-4-yl)-N-[3-[(3S)-oxolan-3-yl]propyl]benzamide

C19H25N3O2 — CID 125438742

IUPAC4-(1,3-dimethylpyrazol-4-yl)-N-[3-[(3S)-oxolan-3-yl]propyl]benzamide
SMILESCc1nn(C)cc1-c1ccc(C(=O)NCCC[C@H]2CCOC2)cc1
InChIInChI=1S/C19H25N3O2/c1-14-18(12-22(2)21-14)16-5-7-17(8-6-16)19(23)20-10-3-4-15-9-11-24-13-15/h5-8,12,15H,3-4,9-11,13H2,1-2H3,(H,20,23)/t15-/m0/s1
InChIKeySSRXRPQJPXEZTG-HNNXBMFYSA-N
MW327.43 g/mol
LogP2.94
Rot. Bonds6

About 4-(1,3-dimethylpyrazol-4-yl)-N-[3-[(3S)-oxolan-3-yl]propyl]benzamide

4-(1,3-dimethylpyrazol-4-yl)-N-[3-[(3S)-oxolan-3-yl]propyl]benzamide (PubChem CID 125438742) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-(1,3-dimethylpyrazol-4-yl)-N-[3-[(3S)-oxolan-3-yl]propyl]benzamide.

Molecular Properties

Compound Name4-(1,3-dimethylpyrazol-4-yl)-N-[3-[(3S)-oxolan-3-yl]propyl]benzamide
PubChem CID125438742
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name4-(1,3-dimethylpyrazol-4-yl)-N-[3-[(3S)-oxolan-3-yl]propyl]benzamide
SMILESCc1nn(C)cc1-c1ccc(C(=O)NCCC[C@H]2CCOC2)cc1
InChIInChI=1S/C19H25N3O2/c1-14-18(12-22(2)21-14)16-5-7-17(8-6-16)19(23)20-10-3-4-15-9-11-24-13-15/h5-8,12,15H,3-4,9-11,13H2,1-2H3,(H,20,23)/t15-/m0/s1
InChIKeySSRXRPQJPXEZTG-HNNXBMFYSA-N
XLogP2.94
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-[3-(oxolan-3-yl)propyl]pyridine-3-carboxamide
CID 90647648
4-(4-methylsulfonylphenyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide
CID 126447960
4-(methylamino)-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 114131493
4-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 121497411
1-(4-methylbenzoyl)-N-[3-[(3R)-oxolan-3-yl]propyl]piperidine-4-carboxamide
CID 125179458
3-(4,6-dimethoxypyrimidin-2-yl)-N-[3-[(3S)-oxolan-3-yl]propyl]benzamide
CID 126448906
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide
CID 125164487
4-(5-methoxy-3-pyridinyl)-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 121494536
3-(1,3-dimethylpyrazol-4-yl)-N-(oxan-4-yl)benzamide
CID 118792986
N,N-dimethyl-5-[4-[2-(oxolan-3-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 121494638
1-ethyl-N-[2-[(3S)-oxolan-3-yl]ethyl]indole-5-carboxamide
CID 125442573
2,6-dimethyl-4-oxo-N-[3-[(3R)-oxolan-3-yl]propyl]-1H-pyridine-3-carboxamide
CID 126436385

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dimethylpyrazol-4-yl)-N-[3-[(3S)-oxolan-3-yl]propyl]benzamide?
The IUPAC name of 4-(1,3-dimethylpyrazol-4-yl)-N-[3-[(3S)-oxolan-3-yl]propyl]benzamide (CID 125438742) is 4-(1,3-dimethylpyrazol-4-yl)-N-[3-[(3S)-oxolan-3-yl]propyl]benzamide.
What is the SMILES notation for 4-(1,3-dimethylpyrazol-4-yl)-N-[3-[(3S)-oxolan-3-yl]propyl]benzamide?
The canonical SMILES for 4-(1,3-dimethylpyrazol-4-yl)-N-[3-[(3S)-oxolan-3-yl]propyl]benzamide is Cc1nn(C)cc1-c1ccc(C(=O)NCCC[C@H]2CCOC2)cc1.
What is the InChIKey of 4-(1,3-dimethylpyrazol-4-yl)-N-[3-[(3S)-oxolan-3-yl]propyl]benzamide?
The InChIKey is SSRXRPQJPXEZTG-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14-18(12-22(2)21-14)16-5-7-17(8-6-16)19(23)20-10-3-4-15-9-11-24-13-15/h5-8,12,15H,3-4,9-11,13H2,1-2H3,(H,20,23)/t15-/m0/s1.
What are the key properties of 4-(1,3-dimethylpyrazol-4-yl)-N-[3-[(3S)-oxolan-3-yl]propyl]benzamide?
4-(1,3-dimethylpyrazol-4-yl)-N-[3-[(3S)-oxolan-3-yl]propyl]benzamide has a molecular weight of 327.43 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dimethylpyrazol-4-yl)-N-[3-[(3S)-oxolan-3-yl]propyl]benzamide is sourced from PubChem (CID 125438742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).