2-(3-fluorophenyl)-N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]acetamide

C15H18FN3O — CID 125447632

IUPAC2-(3-fluorophenyl)-N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]acetamide
SMILESCc1cnn([C@H](C)CNC(=O)Cc2cccc(F)c2)c1
InChIInChI=1S/C15H18FN3O/c1-11-8-18-19(10-11)12(2)9-17-15(20)7-13-4-3-5-14(16)6-13/h3-6,8,10,12H,7,9H2,1-2H3,(H,17,20)/t12-/m1/s1
InChIKeyJPCAXWXPSIIHBX-GFCCVEGCSA-N
MW275.33 g/mol
LogP2.25
Rot. Bonds5

About 2-(3-fluorophenyl)-N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]acetamide

2-(3-fluorophenyl)-N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]acetamide (PubChem CID 125447632) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]acetamide
PubChem CID125447632
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name2-(3-fluorophenyl)-N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]acetamide
SMILESCc1cnn([C@H](C)CNC(=O)Cc2cccc(F)c2)c1
InChIInChI=1S/C15H18FN3O/c1-11-8-18-19(10-11)12(2)9-17-15(20)7-13-4-3-5-14(16)6-13/h3-6,8,10,12H,7,9H2,1-2H3,(H,17,20)/t12-/m1/s1
InChIKeyJPCAXWXPSIIHBX-GFCCVEGCSA-N
XLogP2.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-(4-methylpyrazol-1-yl)propanamide
CID 19534484
(E)-N-[2-(4-methylpyrazol-1-yl)propyl]hex-3-enamide
CID 122565602
methyl 3-[[2-(3-fluorophenyl)acetyl]amino]-2-iodopropanoate
CID 103493227
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-(4-methylpyrazol-1-yl)acetamide
CID 19526559
N-(2-chloro-4,4-dimethylpentyl)-2-(3-fluorophenyl)acetamide
CID 107157057
N-(2-amino-2-cyclopropylethyl)-2-(3-fluorophenyl)acetamide
CID 63767831
N-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 46432285
N-[2-(2-bromoethyl)pentyl]-2-(3-fluorophenyl)acetamide
CID 106118115
2-(3-fluorophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43419046
N-(2-bromopropyl)-2-(3-methylphenyl)acetamide
CID 114308603
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(3-fluorophenyl)acetamide
CID 39963780
2-(3-fluorophenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 51179557

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]acetamide (CID 125447632) is 2-(3-fluorophenyl)-N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]acetamide is Cc1cnn([C@H](C)CNC(=O)Cc2cccc(F)c2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]acetamide?
The InChIKey is JPCAXWXPSIIHBX-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-11-8-18-19(10-11)12(2)9-17-15(20)7-13-4-3-5-14(16)6-13/h3-6,8,10,12H,7,9H2,1-2H3,(H,17,20)/t12-/m1/s1.
What are the key properties of 2-(3-fluorophenyl)-N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]acetamide?
2-(3-fluorophenyl)-N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]acetamide has a molecular weight of 275.33 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[(2R)-2-(4-methylpyrazol-1-yl)propyl]acetamide is sourced from PubChem (CID 125447632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).