N-[(1S,4S)-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]-2-methoxyacetamide

C19H22FN3O2 — CID 26743413

IUPACN-[(1S,4S)-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@@H]1C=C[C@@H](c2c(C)nn(-c3ccc(F)cc3)c2C)C1
InChIInChI=1S/C19H22FN3O2/c1-12-19(14-4-7-16(10-14)21-18(24)11-25-3)13(2)23(22-12)17-8-5-15(20)6-9-17/h4-9,14,16H,10-11H2,1-3H3,(H,21,24)/t14-,16-/m1/s1
InChIKeyVRQWYFVMHCBWQG-GDBMZVCRSA-N
MW343.40 g/mol
LogP2.80
Rot. Bonds5

About N-[(1S,4S)-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]-2-methoxyacetamide

N-[(1S,4S)-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]-2-methoxyacetamide (PubChem CID 26743413) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is N-[(1S,4S)-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(1S,4S)-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]-2-methoxyacetamide
PubChem CID26743413
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC NameN-[(1S,4S)-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@@H]1C=C[C@@H](c2c(C)nn(-c3ccc(F)cc3)c2C)C1
InChIInChI=1S/C19H22FN3O2/c1-12-19(14-4-7-16(10-14)21-18(24)11-25-3)13(2)23(22-12)17-8-5-15(20)6-9-17/h4-9,14,16H,10-11H2,1-3H3,(H,21,24)/t14-,16-/m1/s1
InChIKeyVRQWYFVMHCBWQG-GDBMZVCRSA-N
XLogP2.80
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(methylamino)-2-oxoethyl] (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate
CID 2106191
1-[(1S,4S)-4-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopent-2-en-1-yl]-3-propan-2-ylurea
CID 40777669
N-[1-(4-fluorophenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2-methoxyacetamide
CID 18524028
N-[(3,4-difluorophenyl)methyl]-2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)acetamide
CID 25106224
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide
CID 25106308
N-[(2,3-difluorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 25106482
1-ethyl-3-[(1S,4S)-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]urea
CID 25390040
1-[(1S,4S)-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]-3-propan-2-ylurea
CID 25390041
N-[(1S,4S)-4-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopent-2-en-1-yl]acetamide
CID 40777682
N-[(1S,4S)-4-[1-(4-tert-butylphenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]acetamide
CID 40777719
(1S,4S)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(4-fluorophenyl)methyl]cyclopent-2-en-1-amine
CID 40780440
1-[(1S,4S)-4-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopent-2-en-1-yl]-3-ethylurea
CID 40781482

Frequently Asked Questions

What is the IUPAC name of N-[(1S,4S)-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]-2-methoxyacetamide?
The IUPAC name of N-[(1S,4S)-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]-2-methoxyacetamide (CID 26743413) is N-[(1S,4S)-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[(1S,4S)-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]-2-methoxyacetamide?
The canonical SMILES for N-[(1S,4S)-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]-2-methoxyacetamide is COCC(=O)N[C@@H]1C=C[C@@H](c2c(C)nn(-c3ccc(F)cc3)c2C)C1.
What is the InChIKey of N-[(1S,4S)-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]-2-methoxyacetamide?
The InChIKey is VRQWYFVMHCBWQG-GDBMZVCRSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-12-19(14-4-7-16(10-14)21-18(24)11-25-3)13(2)23(22-12)17-8-5-15(20)6-9-17/h4-9,14,16H,10-11H2,1-3H3,(H,21,24)/t14-,16-/m1/s1.
What are the key properties of N-[(1S,4S)-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]-2-methoxyacetamide?
N-[(1S,4S)-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]-2-methoxyacetamide has a molecular weight of 343.40 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,4S)-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]-2-methoxyacetamide is sourced from PubChem (CID 26743413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).