N-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]-3-fluorobenzamide

C21H27FN4O — CID 24793424

IUPACN-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]-3-fluorobenzamide
SMILESO=C(Nc1ccnn1C1CCN(C2CCCCC2)CC1)c1cccc(F)c1
InChIInChI=1S/C21H27FN4O/c22-17-6-4-5-16(15-17)21(27)24-20-9-12-23-26(20)19-10-13-25(14-11-19)18-7-2-1-3-8-18/h4-6,9,12,15,18-19H,1-3,7-8,10-11,13-14H2,(H,24,27)
InChIKeyOOQISIHQGQYXAO-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.24
Rot. Bonds4

About N-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]-3-fluorobenzamide

N-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]-3-fluorobenzamide (PubChem CID 24793424) has the molecular formula C21H27FN4O and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]-3-fluorobenzamide
PubChem CID24793424
Molecular FormulaC21H27FN4O
Molecular Weight370.47 g/mol
Exact Mass370.22
IUPAC NameN-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]-3-fluorobenzamide
SMILESO=C(Nc1ccnn1C1CCN(C2CCCCC2)CC1)c1cccc(F)c1
InChIInChI=1S/C21H27FN4O/c22-17-6-4-5-16(15-17)21(27)24-20-9-12-23-26(20)19-10-13-25(14-11-19)18-7-2-1-3-8-18/h4-6,9,12,15,18-19H,1-3,7-8,10-11,13-14H2,(H,24,27)
InChIKeyOOQISIHQGQYXAO-UHFFFAOYSA-N
XLogP4.24
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]-3-fluorobenzamide?
The IUPAC name of N-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]-3-fluorobenzamide (CID 24793424) is N-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]-3-fluorobenzamide?
The canonical SMILES for N-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]-3-fluorobenzamide is O=C(Nc1ccnn1C1CCN(C2CCCCC2)CC1)c1cccc(F)c1.
What is the InChIKey of N-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]-3-fluorobenzamide?
The InChIKey is OOQISIHQGQYXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O/c22-17-6-4-5-16(15-17)21(27)24-20-9-12-23-26(20)19-10-13-25(14-11-19)18-7-2-1-3-8-18/h4-6,9,12,15,18-19H,1-3,7-8,10-11,13-14H2,(H,24,27).
What are the key properties of N-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]-3-fluorobenzamide?
N-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]-3-fluorobenzamide has a molecular weight of 370.47 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]-3-fluorobenzamide is sourced from PubChem (CID 24793424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).