4-[4-[5-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenoxy]-N-methylpyridine-2-carboxamide

C22H18Cl2N4O2 — CID 141456070

IUPAC4-[4-[5-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(C3=NNC(c4ccc(Cl)c(Cl)c4)C3)cc2)ccn1
InChIInChI=1S/C22H18Cl2N4O2/c1-25-22(29)21-11-16(8-9-26-21)30-15-5-2-13(3-6-15)19-12-20(28-27-19)14-4-7-17(23)18(24)10-14/h2-11,20,28H,12H2,1H3,(H,25,29)
InChIKeyUKVRZTVJWWHKMG-UHFFFAOYSA-N
MW441.32 g/mol
LogP4.98
Rot. Bonds5

About 4-[4-[5-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenoxy]-N-methylpyridine-2-carboxamide

4-[4-[5-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 141456070) has the molecular formula C22H18Cl2N4O2 and a molecular weight of 441.32 g/mol. Its IUPAC name is 4-[4-[5-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[5-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID141456070
Molecular FormulaC22H18Cl2N4O2
Molecular Weight441.32 g/mol
Exact Mass440.08
IUPAC Name4-[4-[5-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(C3=NNC(c4ccc(Cl)c(Cl)c4)C3)cc2)ccn1
InChIInChI=1S/C22H18Cl2N4O2/c1-25-22(29)21-11-16(8-9-26-21)30-15-5-2-13(3-6-15)19-12-20(28-27-19)14-4-7-17(23)18(24)10-14/h2-11,20,28H,12H2,1H3,(H,25,29)
InChIKeyUKVRZTVJWWHKMG-UHFFFAOYSA-N
XLogP4.98
TPSA75.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.32
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[4-[5-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenoxy]-N-methylpyridine-2-carboxamide (CID 141456070) is 4-[4-[5-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[5-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-[5-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenoxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(C3=NNC(c4ccc(Cl)c(Cl)c4)C3)cc2)ccn1.
What is the InChIKey of 4-[4-[5-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is UKVRZTVJWWHKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N4O2/c1-25-22(29)21-11-16(8-9-26-21)30-15-5-2-13(3-6-15)19-12-20(28-27-19)14-4-7-17(23)18(24)10-14/h2-11,20,28H,12H2,1H3,(H,25,29).
What are the key properties of 4-[4-[5-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenoxy]-N-methylpyridine-2-carboxamide?
4-[4-[5-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 441.32 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 141456070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).