4-[(4-chloro-2-pyridinyl)oxy]-N-[1-(2-fluorophenyl)pyrazol-3-yl]cyclohexane-1-carboxamide

C21H20ClFN4O2 — CID 68594586

IUPAC4-[(4-chloro-2-pyridinyl)oxy]-N-[1-(2-fluorophenyl)pyrazol-3-yl]cyclohexane-1-carboxamide
SMILESO=C(Nc1ccn(-c2ccccc2F)n1)C1CCC(Oc2cc(Cl)ccn2)CC1
InChIInChI=1S/C21H20ClFN4O2/c22-15-9-11-24-20(13-15)29-16-7-5-14(6-8-16)21(28)25-19-10-12-27(26-19)18-4-2-1-3-17(18)23/h1-4,9-14,16H,5-8H2,(H,25,26,28)
InChIKeyCNEBXWXMELJZFE-UHFFFAOYSA-N
MW414.87 g/mol
LogP4.64
Rot. Bonds5

About 4-[(4-chloro-2-pyridinyl)oxy]-N-[1-(2-fluorophenyl)pyrazol-3-yl]cyclohexane-1-carboxamide

4-[(4-chloro-2-pyridinyl)oxy]-N-[1-(2-fluorophenyl)pyrazol-3-yl]cyclohexane-1-carboxamide (PubChem CID 68594586) has the molecular formula C21H20ClFN4O2 and a molecular weight of 414.87 g/mol. Its IUPAC name is 4-[(4-chloro-2-pyridinyl)oxy]-N-[1-(2-fluorophenyl)pyrazol-3-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(4-chloro-2-pyridinyl)oxy]-N-[1-(2-fluorophenyl)pyrazol-3-yl]cyclohexane-1-carboxamide
PubChem CID68594586
Molecular FormulaC21H20ClFN4O2
Molecular Weight414.87 g/mol
Exact Mass414.13
IUPAC Name4-[(4-chloro-2-pyridinyl)oxy]-N-[1-(2-fluorophenyl)pyrazol-3-yl]cyclohexane-1-carboxamide
SMILESO=C(Nc1ccn(-c2ccccc2F)n1)C1CCC(Oc2cc(Cl)ccn2)CC1
InChIInChI=1S/C21H20ClFN4O2/c22-15-9-11-24-20(13-15)29-16-7-5-14(6-8-16)21(28)25-19-10-12-27(26-19)18-4-2-1-3-17(18)23/h1-4,9-14,16H,5-8H2,(H,25,26,28)
InChIKeyCNEBXWXMELJZFE-UHFFFAOYSA-N
XLogP4.64
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.87
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2-pyridinyl)oxy]-N-[1-(2-fluorophenyl)pyrazol-3-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(4-chloro-2-pyridinyl)oxy]-N-[1-(2-fluorophenyl)pyrazol-3-yl]cyclohexane-1-carboxamide (CID 68594586) is 4-[(4-chloro-2-pyridinyl)oxy]-N-[1-(2-fluorophenyl)pyrazol-3-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(4-chloro-2-pyridinyl)oxy]-N-[1-(2-fluorophenyl)pyrazol-3-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(4-chloro-2-pyridinyl)oxy]-N-[1-(2-fluorophenyl)pyrazol-3-yl]cyclohexane-1-carboxamide is O=C(Nc1ccn(-c2ccccc2F)n1)C1CCC(Oc2cc(Cl)ccn2)CC1.
What is the InChIKey of 4-[(4-chloro-2-pyridinyl)oxy]-N-[1-(2-fluorophenyl)pyrazol-3-yl]cyclohexane-1-carboxamide?
The InChIKey is CNEBXWXMELJZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN4O2/c22-15-9-11-24-20(13-15)29-16-7-5-14(6-8-16)21(28)25-19-10-12-27(26-19)18-4-2-1-3-17(18)23/h1-4,9-14,16H,5-8H2,(H,25,26,28).
What are the key properties of 4-[(4-chloro-2-pyridinyl)oxy]-N-[1-(2-fluorophenyl)pyrazol-3-yl]cyclohexane-1-carboxamide?
4-[(4-chloro-2-pyridinyl)oxy]-N-[1-(2-fluorophenyl)pyrazol-3-yl]cyclohexane-1-carboxamide has a molecular weight of 414.87 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-2-pyridinyl)oxy]-N-[1-(2-fluorophenyl)pyrazol-3-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 68594586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).