3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]benzamide

C20H27N3O2 — CID 125166689

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]benzamide
SMILESCc1n[nH]c(C)c1-c1cccc(C(=O)N(C)CC[C@@H]2CCCCO2)c1
InChIInChI=1S/C20H27N3O2/c1-14-19(15(2)22-21-14)16-7-6-8-17(13-16)20(24)23(3)11-10-18-9-4-5-12-25-18/h6-8,13,18H,4-5,9-12H2,1-3H3,(H,21,22)/t18-/m0/s1
InChIKeyBGIZKADNYQXUBT-SFHVURJKSA-N
MW341.46 g/mol
LogP3.72
Rot. Bonds5

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]benzamide

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]benzamide (PubChem CID 125166689) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]benzamide
PubChem CID125166689
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]benzamide
SMILESCc1n[nH]c(C)c1-c1cccc(C(=O)N(C)CC[C@@H]2CCCCO2)c1
InChIInChI=1S/C20H27N3O2/c1-14-19(15(2)22-21-14)16-7-6-8-17(13-16)20(24)23(3)11-10-18-9-4-5-12-25-18/h6-8,13,18H,4-5,9-12H2,1-3H3,(H,21,22)/t18-/m0/s1
InChIKeyBGIZKADNYQXUBT-SFHVURJKSA-N
XLogP3.72
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2,8-trimethyl-N-[2-[(2R)-oxan-2-yl]ethyl]quinoline-4-carboxamide
CID 95045864
3-(6-cyano-2-pyridinyl)-N-methyl-N-[3-[(2R)-oxolan-2-yl]propyl]benzamide
CID 126444243
N-methyl-N-[2-(oxan-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 77091135
3-(3-fluoro-4-pyridinyl)-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]benzamide
CID 125159693
N-methyl-3-(3-methylimidazol-4-yl)-N-[[(2S)-oxan-2-yl]methyl]benzamide
CID 126444433
2-[3-[methyl-[3-(oxolan-2-yl)propyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 118787231
1-ethyl-N,3,5-trimethyl-N-[2-[(2R)-oxan-2-yl]ethyl]pyrazole-4-carboxamide
CID 125177076
N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]-5-propyl-1,2-oxazole-3-carboxamide
CID 96579479
3-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61435695
3-fluoro-N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]pyridine-4-carboxamide
CID 99972449
N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 97201362
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-3-(2-oxo-1H-pyridin-3-yl)benzamide
CID 118761715

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]benzamide?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]benzamide (CID 125166689) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]benzamide.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]benzamide?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]benzamide is Cc1n[nH]c(C)c1-c1cccc(C(=O)N(C)CC[C@@H]2CCCCO2)c1.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]benzamide?
The InChIKey is BGIZKADNYQXUBT-SFHVURJKSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-14-19(15(2)22-21-14)16-7-6-8-17(13-16)20(24)23(3)11-10-18-9-4-5-12-25-18/h6-8,13,18H,4-5,9-12H2,1-3H3,(H,21,22)/t18-/m0/s1.
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]benzamide?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]benzamide has a molecular weight of 341.46 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]benzamide is sourced from PubChem (CID 125166689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).