N-[(2S,4R,6R)-2-(5-cyclopropyl-1-methylpyrazol-4-yl)-6-(3,5-difluorophenyl)oxan-4-yl]acetamide

C20H23F2N3O2 — CID 50953982

IUPACN-[(2S,4R,6R)-2-(5-cyclopropyl-1-methylpyrazol-4-yl)-6-(3,5-difluorophenyl)oxan-4-yl]acetamide
SMILESCC(=O)N[C@H]1C[C@@H](c2cnn(C)c2C2CC2)O[C@@H](c2cc(F)cc(F)c2)C1
InChIInChI=1S/C20H23F2N3O2/c1-11(26)24-16-8-18(13-5-14(21)7-15(22)6-13)27-19(9-16)17-10-23-25(2)20(17)12-3-4-12/h5-7,10,12,16,18-19H,3-4,8-9H2,1-2H3,(H,24,26)/t16-,18-,19+/m1/s1
InChIKeyAUZXNNBCFSCORN-QRQLOZEOSA-N
MW375.42 g/mol
LogP3.67
Rot. Bonds4

About N-[(2S,4R,6R)-2-(5-cyclopropyl-1-methylpyrazol-4-yl)-6-(3,5-difluorophenyl)oxan-4-yl]acetamide

N-[(2S,4R,6R)-2-(5-cyclopropyl-1-methylpyrazol-4-yl)-6-(3,5-difluorophenyl)oxan-4-yl]acetamide (PubChem CID 50953982) has the molecular formula C20H23F2N3O2 and a molecular weight of 375.42 g/mol. Its IUPAC name is N-[(2S,4R,6R)-2-(5-cyclopropyl-1-methylpyrazol-4-yl)-6-(3,5-difluorophenyl)oxan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,4R,6R)-2-(5-cyclopropyl-1-methylpyrazol-4-yl)-6-(3,5-difluorophenyl)oxan-4-yl]acetamide
PubChem CID50953982
Molecular FormulaC20H23F2N3O2
Molecular Weight375.42 g/mol
Exact Mass375.18
IUPAC NameN-[(2S,4R,6R)-2-(5-cyclopropyl-1-methylpyrazol-4-yl)-6-(3,5-difluorophenyl)oxan-4-yl]acetamide
SMILESCC(=O)N[C@H]1C[C@@H](c2cnn(C)c2C2CC2)O[C@@H](c2cc(F)cc(F)c2)C1
InChIInChI=1S/C20H23F2N3O2/c1-11(26)24-16-8-18(13-5-14(21)7-15(22)6-13)27-19(9-16)17-10-23-25(2)20(17)12-3-4-12/h5-7,10,12,16,18-19H,3-4,8-9H2,1-2H3,(H,24,26)/t16-,18-,19+/m1/s1
InChIKeyAUZXNNBCFSCORN-QRQLOZEOSA-N
XLogP3.67
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-Fluorophenyl)-(2-methylpyrazol-3-yl)methoxy]-1-morpholin-4-ylethanone
CID 45488337
N-[(4-fluorophenyl)methyl]-1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methanamine
CID 118746330
1-[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-[(4-fluorophenyl)methyl]methanamine
CID 118746920
N-[(2-fluorophenyl)methyl]-2-{2H,4H,6H,7H-pyrano[4,3-c]pyrazol-2-yl}acetamide
CID 138033643
N-[(2S*,4R*,6S*)-2-benzyl-6-(1-tert-butyl-3,5-dimethyl-1H-pyrazol-4-yl)tetrahydro-2H-pyran-4-yl]acetamide
CID 50958700
N-[(2R*,4R*,6S*)-2-tert-butyl-6-(1,5-dimethyl-1H-pyrazol-4-yl)tetrahydro-2H-pyran-4-yl]benzamide
CID 50979914
N-[(2S*,4R*,6R*)-2-(1-allyl-1H-pyrazol-4-yl)-6-(3,5-difluorophenyl)tetrahydro-2H-pyran-4-yl]acetamide
CID 50949848
N-[(2S*,4R*,6S*)-2-(1-allyl-3-methyl-1H-pyrazol-4-yl)-6-ethyltetrahydro-2H-pyran-4-yl]benzamide
CID 50951035
N-{(2R*,4R*,6S*)-2-phenyl-6-[3-(1H-pyrazol-1-ylmethyl)phenyl]tetrahydro-2H-pyran-4-yl}acetamide
CID 50954174
N-[(2S,4R,6S)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-6-(2-methylpropyl)oxan-4-yl]acetamide
CID 50960193
N-[(2R,4R,6S)-2-propan-2-yl-6-[4-(pyrazol-1-ylmethyl)phenyl]oxan-4-yl]acetamide
CID 50974702
N-[(2S*,4R*,6S*)-2-(1,5-dimethyl-1H-pyrazol-4-yl)-6-(2-phenylethyl)tetrahydro-2H-pyran-4-yl]acetamide
CID 50980452

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R,6R)-2-(5-cyclopropyl-1-methylpyrazol-4-yl)-6-(3,5-difluorophenyl)oxan-4-yl]acetamide?
The IUPAC name of N-[(2S,4R,6R)-2-(5-cyclopropyl-1-methylpyrazol-4-yl)-6-(3,5-difluorophenyl)oxan-4-yl]acetamide (CID 50953982) is N-[(2S,4R,6R)-2-(5-cyclopropyl-1-methylpyrazol-4-yl)-6-(3,5-difluorophenyl)oxan-4-yl]acetamide.
What is the SMILES notation for N-[(2S,4R,6R)-2-(5-cyclopropyl-1-methylpyrazol-4-yl)-6-(3,5-difluorophenyl)oxan-4-yl]acetamide?
The canonical SMILES for N-[(2S,4R,6R)-2-(5-cyclopropyl-1-methylpyrazol-4-yl)-6-(3,5-difluorophenyl)oxan-4-yl]acetamide is CC(=O)N[C@H]1C[C@@H](c2cnn(C)c2C2CC2)O[C@@H](c2cc(F)cc(F)c2)C1.
What is the InChIKey of N-[(2S,4R,6R)-2-(5-cyclopropyl-1-methylpyrazol-4-yl)-6-(3,5-difluorophenyl)oxan-4-yl]acetamide?
The InChIKey is AUZXNNBCFSCORN-QRQLOZEOSA-N. The full InChI is InChI=1S/C20H23F2N3O2/c1-11(26)24-16-8-18(13-5-14(21)7-15(22)6-13)27-19(9-16)17-10-23-25(2)20(17)12-3-4-12/h5-7,10,12,16,18-19H,3-4,8-9H2,1-2H3,(H,24,26)/t16-,18-,19+/m1/s1.
What are the key properties of N-[(2S,4R,6R)-2-(5-cyclopropyl-1-methylpyrazol-4-yl)-6-(3,5-difluorophenyl)oxan-4-yl]acetamide?
N-[(2S,4R,6R)-2-(5-cyclopropyl-1-methylpyrazol-4-yl)-6-(3,5-difluorophenyl)oxan-4-yl]acetamide has a molecular weight of 375.42 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R,6R)-2-(5-cyclopropyl-1-methylpyrazol-4-yl)-6-(3,5-difluorophenyl)oxan-4-yl]acetamide is sourced from PubChem (CID 50953982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).