N-(3-fluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide

C22H23FN4O2 — CID 71839629

IUPACN-(3-fluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
SMILESCOc1cccc(-c2cc(C3CCN(C(=O)Nc4cccc(F)c4)CC3)[nH]n2)c1
InChIInChI=1S/C22H23FN4O2/c1-29-19-7-2-4-16(12-19)21-14-20(25-26-21)15-8-10-27(11-9-15)22(28)24-18-6-3-5-17(23)13-18/h2-7,12-15H,8-11H2,1H3,(H,24,28)(H,25,26)
InChIKeyZCNXRYONAYOQIM-UHFFFAOYSA-N
MW394.45 g/mol
LogP4.64
Rot. Bonds4

About N-(3-fluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide

N-(3-fluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide (PubChem CID 71839629) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
PubChem CID71839629
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC NameN-(3-fluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
SMILESCOc1cccc(-c2cc(C3CCN(C(=O)Nc4cccc(F)c4)CC3)[nH]n2)c1
InChIInChI=1S/C22H23FN4O2/c1-29-19-7-2-4-16(12-19)21-14-20(25-26-21)15-8-10-27(11-9-15)22(28)24-18-6-3-5-17(23)13-18/h2-7,12-15H,8-11H2,1H3,(H,24,28)(H,25,26)
InChIKeyZCNXRYONAYOQIM-UHFFFAOYSA-N
XLogP4.64
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide (CID 71839629) is N-(3-fluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide is COc1cccc(-c2cc(C3CCN(C(=O)Nc4cccc(F)c4)CC3)[nH]n2)c1.
What is the InChIKey of N-(3-fluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide?
The InChIKey is ZCNXRYONAYOQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-29-19-7-2-4-16(12-19)21-14-20(25-26-21)15-8-10-27(11-9-15)22(28)24-18-6-3-5-17(23)13-18/h2-7,12-15H,8-11H2,1H3,(H,24,28)(H,25,26).
What are the key properties of N-(3-fluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide?
N-(3-fluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 71839629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).