N-(4-chloro-2-fluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide

C22H22ClFN4O2 — CID 71839622

IUPACN-(4-chloro-2-fluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
SMILESCOc1cccc(-c2cc(C3CCN(C(=O)Nc4ccc(Cl)cc4F)CC3)[nH]n2)c1
InChIInChI=1S/C22H22ClFN4O2/c1-30-17-4-2-3-15(11-17)21-13-20(26-27-21)14-7-9-28(10-8-14)22(29)25-19-6-5-16(23)12-18(19)24/h2-6,11-14H,7-10H2,1H3,(H,25,29)(H,26,27)
InChIKeyVPSYNSVDDVKXFC-UHFFFAOYSA-N
MW428.90 g/mol
LogP5.29
Rot. Bonds4

About N-(4-chloro-2-fluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide

N-(4-chloro-2-fluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide (PubChem CID 71839622) has the molecular formula C22H22ClFN4O2 and a molecular weight of 428.90 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
PubChem CID71839622
Molecular FormulaC22H22ClFN4O2
Molecular Weight428.90 g/mol
Exact Mass428.14
IUPAC NameN-(4-chloro-2-fluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
SMILESCOc1cccc(-c2cc(C3CCN(C(=O)Nc4ccc(Cl)cc4F)CC3)[nH]n2)c1
InChIInChI=1S/C22H22ClFN4O2/c1-30-17-4-2-3-15(11-17)21-13-20(26-27-21)14-7-9-28(10-8-14)22(29)25-19-6-5-16(23)12-18(19)24/h2-6,11-14H,7-10H2,1H3,(H,25,29)(H,26,27)
InChIKeyVPSYNSVDDVKXFC-UHFFFAOYSA-N
XLogP5.29
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.90
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-chloro-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]urea
CID 68563884
1-[(3-methoxyphenyl)methyl]-1-(3-piperidin-1-ylpropyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 70896923
3-amino-N-(4-chlorophenyl)-5-(3-methoxyphenyl)pyrazole-1-carboxamide
CID 5309448
N-(4-chlorophenyl)-3-[(3-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53018446
4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 71839642
N-(4-fluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
CID 71839649
N-(4-chlorophenyl)-1-methyl-3-[(3,4,5-trifluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 155511149
N-(4-chlorophenyl)-3-[(3,4-difluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 155518813
N-(4-chlorophenyl)-3-[(3,5-difluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 155531493
1-(4-Chlorophenyl)-3-(2-((6-(4-fluorophenyl)pyridazin-3-yl)oxy)ethyl)urea
CID 42109947
N-(3,5-difluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
CID 71839621
N-(3-fluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
CID 71839629

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide (CID 71839622) is N-(4-chloro-2-fluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide is COc1cccc(-c2cc(C3CCN(C(=O)Nc4ccc(Cl)cc4F)CC3)[nH]n2)c1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide?
The InChIKey is VPSYNSVDDVKXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClFN4O2/c1-30-17-4-2-3-15(11-17)21-13-20(26-27-21)14-7-9-28(10-8-14)22(29)25-19-6-5-16(23)12-18(19)24/h2-6,11-14H,7-10H2,1H3,(H,25,29)(H,26,27).
What are the key properties of N-(4-chloro-2-fluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide?
N-(4-chloro-2-fluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide has a molecular weight of 428.90 g/mol, XLogP of 5.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 71839622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).