1-(3-chloro-2-methylphenyl)-N-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide

C22H22ClFN4O — CID 20953814

IUPAC1-(3-chloro-2-methylphenyl)-N-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESCc1c(Cl)cccc1-n1ncc(C(=O)Nc2cccc(F)c2)c1C1CCNCC1
InChIInChI=1S/C22H22ClFN4O/c1-14-19(23)6-3-7-20(14)28-21(15-8-10-25-11-9-15)18(13-26-28)22(29)27-17-5-2-4-16(24)12-17/h2-7,12-13,15,25H,8-11H2,1H3,(H,27,29)
InChIKeySQOQXQGWXAWWSL-UHFFFAOYSA-N
MW412.90 g/mol
LogP4.69
Rot. Bonds4

About 1-(3-chloro-2-methylphenyl)-N-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide

1-(3-chloro-2-methylphenyl)-N-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide (PubChem CID 20953814) has the molecular formula C22H22ClFN4O and a molecular weight of 412.90 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-N-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-N-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
PubChem CID20953814
Molecular FormulaC22H22ClFN4O
Molecular Weight412.90 g/mol
Exact Mass412.15
IUPAC Name1-(3-chloro-2-methylphenyl)-N-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESCc1c(Cl)cccc1-n1ncc(C(=O)Nc2cccc(F)c2)c1C1CCNCC1
InChIInChI=1S/C22H22ClFN4O/c1-14-19(23)6-3-7-20(14)28-21(15-8-10-25-11-9-15)18(13-26-28)22(29)27-17-5-2-4-16(24)12-17/h2-7,12-13,15,25H,8-11H2,1H3,(H,27,29)
InChIKeySQOQXQGWXAWWSL-UHFFFAOYSA-N
XLogP4.69
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.90
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-2-methylphenyl)-5-piperidin-4-yl-N-(2,3,5,6-tetrafluorophenyl)pyrazole-4-carboxamide
CID 46280305
1-(2-chlorophenyl)-N-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924142
1-(2,4-difluorophenyl)-N-(3-ethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924053
tert-butyl 4-[1-(3-chloro-2-methylphenyl)-4-[(3-chlorophenyl)carbamoyl]pyrazol-5-yl]piperidine-1-carboxylate
CID 46281514
N-(3,5-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924166
N-(3-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20923962
1-(4-chlorophenyl)-N-(3-fluoro-4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953866
N-(3-chloro-5-methylphenyl)-1-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 122175687
N-(4-bromophenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053375
N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924163
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053366
N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053338

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-N-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-N-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide (CID 20953814) is 1-(3-chloro-2-methylphenyl)-N-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-N-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-N-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide is Cc1c(Cl)cccc1-n1ncc(C(=O)Nc2cccc(F)c2)c1C1CCNCC1.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-N-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The InChIKey is SQOQXQGWXAWWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClFN4O/c1-14-19(23)6-3-7-20(14)28-21(15-8-10-25-11-9-15)18(13-26-28)22(29)27-17-5-2-4-16(24)12-17/h2-7,12-13,15,25H,8-11H2,1H3,(H,27,29).
What are the key properties of 1-(3-chloro-2-methylphenyl)-N-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
1-(3-chloro-2-methylphenyl)-N-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide has a molecular weight of 412.90 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-N-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 20953814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).