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

C22H22F2N4O2 — CID 71839621

IUPACN-(3,5-difluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
SMILESCOc1cccc(-c2cc(C3CCN(C(=O)Nc4cc(F)cc(F)c4)CC3)[nH]n2)c1
InChIInChI=1S/C22H22F2N4O2/c1-30-19-4-2-3-15(9-19)21-13-20(26-27-21)14-5-7-28(8-6-14)22(29)25-18-11-16(23)10-17(24)12-18/h2-4,9-14H,5-8H2,1H3,(H,25,29)(H,26,27)
InChIKeyMHBHASVHZDOLOQ-UHFFFAOYSA-N
MW412.44 g/mol
LogP4.78
Rot. Bonds4

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

N-(3,5-difluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide (PubChem CID 71839621) has the molecular formula C22H22F2N4O2 and a molecular weight of 412.44 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
PubChem CID71839621
Molecular FormulaC22H22F2N4O2
Molecular Weight412.44 g/mol
Exact Mass412.17
IUPAC NameN-(3,5-difluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
SMILESCOc1cccc(-c2cc(C3CCN(C(=O)Nc4cc(F)cc(F)c4)CC3)[nH]n2)c1
InChIInChI=1S/C22H22F2N4O2/c1-30-19-4-2-3-15(9-19)21-13-20(26-27-21)14-5-7-28(8-6-14)22(29)25-18-11-16(23)10-17(24)12-18/h2-4,9-14H,5-8H2,1H3,(H,25,29)(H,26,27)
InChIKeyMHBHASVHZDOLOQ-UHFFFAOYSA-N
XLogP4.78
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide?
The IUPAC name of N-(3,5-difluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide (CID 71839621) is N-(3,5-difluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(3,5-difluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide is COc1cccc(-c2cc(C3CCN(C(=O)Nc4cc(F)cc(F)c4)CC3)[nH]n2)c1.
What is the InChIKey of N-(3,5-difluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide?
The InChIKey is MHBHASVHZDOLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O2/c1-30-19-4-2-3-15(9-19)21-13-20(26-27-21)14-5-7-28(8-6-14)22(29)25-18-11-16(23)10-17(24)12-18/h2-4,9-14H,5-8H2,1H3,(H,25,29)(H,26,27).
What are the key properties of N-(3,5-difluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide?
N-(3,5-difluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide has a molecular weight of 412.44 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 71839621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).