3-(3-chloro-4-fluorophenyl)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide

C19H18ClFN4O — CID 122274396

IUPAC3-(3-chloro-4-fluorophenyl)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide
SMILESCn1cc(-c2ccc(CNC(=O)CCc3ccc(F)c(Cl)c3)cn2)cn1
InChIInChI=1S/C19H18ClFN4O/c1-25-12-15(11-24-25)18-6-3-14(9-22-18)10-23-19(26)7-4-13-2-5-17(21)16(20)8-13/h2-3,5-6,8-9,11-12H,4,7,10H2,1H3,(H,23,26)
InChIKeyYAWBXHBGNHJNML-UHFFFAOYSA-N
MW372.83 g/mol
LogP3.52
Rot. Bonds6

About 3-(3-chloro-4-fluorophenyl)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide

3-(3-chloro-4-fluorophenyl)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide (PubChem CID 122274396) has the molecular formula C19H18ClFN4O and a molecular weight of 372.83 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide
PubChem CID122274396
Molecular FormulaC19H18ClFN4O
Molecular Weight372.83 g/mol
Exact Mass372.12
IUPAC Name3-(3-chloro-4-fluorophenyl)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide
SMILESCn1cc(-c2ccc(CNC(=O)CCc3ccc(F)c(Cl)c3)cn2)cn1
InChIInChI=1S/C19H18ClFN4O/c1-25-12-15(11-24-25)18-6-3-14(9-22-18)10-23-19(26)7-4-13-2-5-17(21)16(20)8-13/h2-3,5-6,8-9,11-12H,4,7,10H2,1H3,(H,23,26)
InChIKeyYAWBXHBGNHJNML-UHFFFAOYSA-N
XLogP3.52
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chloro-3-methylphenyl)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide
CID 122274401
2-(4-chlorophenoxy)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 122274351
2-(4-fluorophenoxy)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 122274335
3-(3,4-dichlorophenyl)-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide
CID 122275297
2-fluoro-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 122274311
1,1-dimethyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea
CID 122274541
3-(4-fluoro-3-methylphenyl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]propanamide
CID 119105221
2-cyclopentyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 122274308
2-(4-chlorophenoxy)-2-methyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide
CID 121022514
2-ethyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]butanamide
CID 122274470
3-(3-chloro-4-fluorophenyl)-N-[2-(triazol-2-yl)ethyl]propanamide
CID 121177198
N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-4-propylbenzamide
CID 119105294

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide (CID 122274396) is 3-(3-chloro-4-fluorophenyl)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide is Cn1cc(-c2ccc(CNC(=O)CCc3ccc(F)c(Cl)c3)cn2)cn1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide?
The InChIKey is YAWBXHBGNHJNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN4O/c1-25-12-15(11-24-25)18-6-3-14(9-22-18)10-23-19(26)7-4-13-2-5-17(21)16(20)8-13/h2-3,5-6,8-9,11-12H,4,7,10H2,1H3,(H,23,26).
What are the key properties of 3-(3-chloro-4-fluorophenyl)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide?
3-(3-chloro-4-fluorophenyl)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide has a molecular weight of 372.83 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 122274396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).