3-(2,4-difluorophenyl)-1-methyl-N-(3-quinolin-8-yloxypropyl)pyrazole-4-carboxamide

C23H20F2N4O2 — CID 86949236

IUPAC3-(2,4-difluorophenyl)-1-methyl-N-(3-quinolin-8-yloxypropyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCCCOc2cccc3cccnc23)c(-c2ccc(F)cc2F)n1
InChIInChI=1S/C23H20F2N4O2/c1-29-14-18(22(28-29)17-9-8-16(24)13-19(17)25)23(30)27-11-4-12-31-20-7-2-5-15-6-3-10-26-21(15)20/h2-3,5-10,13-14H,4,11-12H2,1H3,(H,27,30)
InChIKeySQNAIMLGQWPNNU-UHFFFAOYSA-N
MW422.44 g/mol
LogP4.11
Rot. Bonds7

About 3-(2,4-difluorophenyl)-1-methyl-N-(3-quinolin-8-yloxypropyl)pyrazole-4-carboxamide

3-(2,4-difluorophenyl)-1-methyl-N-(3-quinolin-8-yloxypropyl)pyrazole-4-carboxamide (PubChem CID 86949236) has the molecular formula C23H20F2N4O2 and a molecular weight of 422.44 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-1-methyl-N-(3-quinolin-8-yloxypropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-1-methyl-N-(3-quinolin-8-yloxypropyl)pyrazole-4-carboxamide
PubChem CID86949236
Molecular FormulaC23H20F2N4O2
Molecular Weight422.44 g/mol
Exact Mass422.16
IUPAC Name3-(2,4-difluorophenyl)-1-methyl-N-(3-quinolin-8-yloxypropyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCCCOc2cccc3cccnc23)c(-c2ccc(F)cc2F)n1
InChIInChI=1S/C23H20F2N4O2/c1-29-14-18(22(28-29)17-9-8-16(24)13-19(17)25)23(30)27-11-4-12-31-20-7-2-5-15-6-3-10-26-21(15)20/h2-3,5-10,13-14H,4,11-12H2,1H3,(H,27,30)
InChIKeySQNAIMLGQWPNNU-UHFFFAOYSA-N
XLogP4.11
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,4-difluoro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide
CID 56585771
3-(2,4-difluorophenyl)-1-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide
CID 95900693
2,3,4-trifluoro-N-(2-quinolin-8-yloxyethyl)benzamide
CID 113102253
2-methyl-5-methylsulfanyl-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56535021
1-phenyl-3-pyridin-3-yl-N-(3-quinolin-8-yloxypropyl)pyrazole-4-carboxamide
CID 56535064
3-(2,4-difluorophenyl)-1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 86948044
4-fluoro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide
CID 56543399
3-(2,4-difluorophenyl)-1-methyl-N-naphthalen-2-ylpyrazole-4-carboxamide
CID 86947975
3-(2,4-difluorophenyl)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1-methylpyrazole-4-carboxamide
CID 86949170
3-(2,4-difluorophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)-1-methylpyrazole-4-carboxamide
CID 86948039
5-methoxy-2-methyl-N-(2-quinolin-8-yloxyethyl)pyridine-4-carboxamide
CID 146039784
4-bromo-1-ethyl-N-(3-quinolin-8-yloxypropyl)pyrrole-2-carboxamide
CID 56585571

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-1-methyl-N-(3-quinolin-8-yloxypropyl)pyrazole-4-carboxamide?
The IUPAC name of 3-(2,4-difluorophenyl)-1-methyl-N-(3-quinolin-8-yloxypropyl)pyrazole-4-carboxamide (CID 86949236) is 3-(2,4-difluorophenyl)-1-methyl-N-(3-quinolin-8-yloxypropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-(2,4-difluorophenyl)-1-methyl-N-(3-quinolin-8-yloxypropyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-(2,4-difluorophenyl)-1-methyl-N-(3-quinolin-8-yloxypropyl)pyrazole-4-carboxamide is Cn1cc(C(=O)NCCCOc2cccc3cccnc23)c(-c2ccc(F)cc2F)n1.
What is the InChIKey of 3-(2,4-difluorophenyl)-1-methyl-N-(3-quinolin-8-yloxypropyl)pyrazole-4-carboxamide?
The InChIKey is SQNAIMLGQWPNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N4O2/c1-29-14-18(22(28-29)17-9-8-16(24)13-19(17)25)23(30)27-11-4-12-31-20-7-2-5-15-6-3-10-26-21(15)20/h2-3,5-10,13-14H,4,11-12H2,1H3,(H,27,30).
What are the key properties of 3-(2,4-difluorophenyl)-1-methyl-N-(3-quinolin-8-yloxypropyl)pyrazole-4-carboxamide?
3-(2,4-difluorophenyl)-1-methyl-N-(3-quinolin-8-yloxypropyl)pyrazole-4-carboxamide has a molecular weight of 422.44 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-1-methyl-N-(3-quinolin-8-yloxypropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 86949236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).