4-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide

C17H19F2N3O2 — CID 125440523

IUPAC4-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCc1c(-c2ccc(C(=O)NC[C@@H]3CCCO3)cc2)cnn1C(F)F
InChIInChI=1S/C17H19F2N3O2/c1-11-15(10-21-22(11)17(18)19)12-4-6-13(7-5-12)16(23)20-9-14-3-2-8-24-14/h4-7,10,14,17H,2-3,8-9H2,1H3,(H,20,23)/t14-/m0/s1
InChIKeyJFZRZHYPDYFJIE-AWEZNQCLSA-N
MW335.35 g/mol
LogP3.16
Rot. Bonds5

About 4-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide

4-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 125440523) has the molecular formula C17H19F2N3O2 and a molecular weight of 335.35 g/mol. Its IUPAC name is 4-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID125440523
Molecular FormulaC17H19F2N3O2
Molecular Weight335.35 g/mol
Exact Mass335.14
IUPAC Name4-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCc1c(-c2ccc(C(=O)NC[C@@H]3CCCO3)cc2)cnn1C(F)F
InChIInChI=1S/C17H19F2N3O2/c1-11-15(10-21-22(11)17(18)19)12-4-6-13(7-5-12)16(23)20-9-14-3-2-8-24-14/h4-7,10,14,17H,2-3,8-9H2,1H3,(H,20,23)/t14-/m0/s1
InChIKeyJFZRZHYPDYFJIE-AWEZNQCLSA-N
XLogP3.16
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-fluoro-4-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 126425082
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 48650609
4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 2969540
N-(oxolan-2-ylmethyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide
CID 75490780
N-[[(2R)-oxolan-2-yl]methyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide
CID 97497055
trifluoro-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]boranuide
CID 99738286
4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 44762278
4-[[4-(2-methylphenyl)phenyl]sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 46386325
4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405
4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 875708
2-methyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 19475536

Frequently Asked Questions

What is the IUPAC name of 4-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 4-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 125440523) is 4-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 4-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 4-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide is Cc1c(-c2ccc(C(=O)NC[C@@H]3CCCO3)cc2)cnn1C(F)F.
What is the InChIKey of 4-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is JFZRZHYPDYFJIE-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19F2N3O2/c1-11-15(10-21-22(11)17(18)19)12-4-6-13(7-5-12)16(23)20-9-14-3-2-8-24-14/h4-7,10,14,17H,2-3,8-9H2,1H3,(H,20,23)/t14-/m0/s1.
What are the key properties of 4-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
4-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 335.35 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 125440523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).