N-[(4S)-2,2-dimethyloxan-4-yl]-2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide

C19H24FN3O2 — CID 97265214

IUPACN-[(4S)-2,2-dimethyloxan-4-yl]-2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide
SMILESCc1[nH]nc(-c2ccc(F)cc2)c1CC(=O)N[C@H]1CCOC(C)(C)C1
InChIInChI=1S/C19H24FN3O2/c1-12-16(18(23-22-12)13-4-6-14(20)7-5-13)10-17(24)21-15-8-9-25-19(2,3)11-15/h4-7,15H,8-11H2,1-3H3,(H,21,24)(H,22,23)/t15-/m0/s1
InChIKeyIOVUPAPPMSWSGX-HNNXBMFYSA-N
MW345.42 g/mol
LogP3.14
Rot. Bonds4

About N-[(4S)-2,2-dimethyloxan-4-yl]-2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide

N-[(4S)-2,2-dimethyloxan-4-yl]-2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide (PubChem CID 97265214) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[(4S)-2,2-dimethyloxan-4-yl]-2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(4S)-2,2-dimethyloxan-4-yl]-2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide
PubChem CID97265214
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC NameN-[(4S)-2,2-dimethyloxan-4-yl]-2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide
SMILESCc1[nH]nc(-c2ccc(F)cc2)c1CC(=O)N[C@H]1CCOC(C)(C)C1
InChIInChI=1S/C19H24FN3O2/c1-12-16(18(23-22-12)13-4-6-14(20)7-5-13)10-17(24)21-15-8-9-25-19(2,3)11-15/h4-7,15H,8-11H2,1-3H3,(H,21,24)(H,22,23)/t15-/m0/s1
InChIKeyIOVUPAPPMSWSGX-HNNXBMFYSA-N
XLogP3.14
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-Diethyl-1H-pyrazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide
CID 57737871
2-[3,5-di(propan-2-yl)-1H-pyrazol-4-yl]-N-[(2,3,4-trifluorophenyl)methyl]acetamide
CID 57737876
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide
CID 71710246
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CID 45209998
2-benzyl-4-[3-(3,4-dimethyl-1H-pyrazol-5-yl)propanoyl]morpholine
CID 45234451
1-[(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
CID 56750877
2-(5-fluoro-2-methylphenyl)-N-[1-methyl-2-(3-methyl-1H-pyrazol-5-yl)ethyl]acetamide
CID 56751380
4-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-2-(2-phenylethyl)morpholine
CID 56873630
2-[5-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]-N-(tetrahydro-2H-pyran-4-ylmethyl)acetamide
CID 71704793
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(3-fluorophenyl)ethanone
CID 75470380
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(2-fluorophenyl)ethanone
CID 75470393
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
CID 75470401

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-2,2-dimethyloxan-4-yl]-2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide?
The IUPAC name of N-[(4S)-2,2-dimethyloxan-4-yl]-2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide (CID 97265214) is N-[(4S)-2,2-dimethyloxan-4-yl]-2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide.
What is the SMILES notation for N-[(4S)-2,2-dimethyloxan-4-yl]-2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide?
The canonical SMILES for N-[(4S)-2,2-dimethyloxan-4-yl]-2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide is Cc1[nH]nc(-c2ccc(F)cc2)c1CC(=O)N[C@H]1CCOC(C)(C)C1.
What is the InChIKey of N-[(4S)-2,2-dimethyloxan-4-yl]-2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide?
The InChIKey is IOVUPAPPMSWSGX-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-12-16(18(23-22-12)13-4-6-14(20)7-5-13)10-17(24)21-15-8-9-25-19(2,3)11-15/h4-7,15H,8-11H2,1-3H3,(H,21,24)(H,22,23)/t15-/m0/s1.
What are the key properties of N-[(4S)-2,2-dimethyloxan-4-yl]-2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide?
N-[(4S)-2,2-dimethyloxan-4-yl]-2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide has a molecular weight of 345.42 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-2,2-dimethyloxan-4-yl]-2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide is sourced from PubChem (CID 97265214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).