1-[4-(difluoromethoxy)phenyl]-N-(4-piperidin-3-ylphenyl)pyrazole-4-carboxamide

C22H22F2N4O2 — CID 73442272

IUPAC1-[4-(difluoromethoxy)phenyl]-N-(4-piperidin-3-ylphenyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(C2CCCNC2)cc1)c1cnn(-c2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C22H22F2N4O2/c23-22(24)30-20-9-7-19(8-10-20)28-14-17(13-26-28)21(29)27-18-5-3-15(4-6-18)16-2-1-11-25-12-16/h3-10,13-14,16,22,25H,1-2,11-12H2,(H,27,29)
InChIKeyQGWFZVHHFMLNOH-UHFFFAOYSA-N
MW412.44 g/mol
LogP4.19
Rot. Bonds6

About 1-[4-(difluoromethoxy)phenyl]-N-(4-piperidin-3-ylphenyl)pyrazole-4-carboxamide

1-[4-(difluoromethoxy)phenyl]-N-(4-piperidin-3-ylphenyl)pyrazole-4-carboxamide (PubChem CID 73442272) has the molecular formula C22H22F2N4O2 and a molecular weight of 412.44 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-N-(4-piperidin-3-ylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-N-(4-piperidin-3-ylphenyl)pyrazole-4-carboxamide
PubChem CID73442272
Molecular FormulaC22H22F2N4O2
Molecular Weight412.44 g/mol
Exact Mass412.17
IUPAC Name1-[4-(difluoromethoxy)phenyl]-N-(4-piperidin-3-ylphenyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(C2CCCNC2)cc1)c1cnn(-c2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C22H22F2N4O2/c23-22(24)30-20-9-7-19(8-10-20)28-14-17(13-26-28)21(29)27-18-5-3-15(4-6-18)16-2-1-11-25-12-16/h3-10,13-14,16,22,25H,1-2,11-12H2,(H,27,29)
InChIKeyQGWFZVHHFMLNOH-UHFFFAOYSA-N
XLogP4.19
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-(difluoromethoxy)phenyl]-N-(4-piperidin-3-ylphenyl)pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N-(4-piperidin-3-ylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N-(4-piperidin-3-ylphenyl)pyrazole-4-carboxamide (CID 73442272) is 1-[4-(difluoromethoxy)phenyl]-N-(4-piperidin-3-ylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-N-(4-piperidin-3-ylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-N-(4-piperidin-3-ylphenyl)pyrazole-4-carboxamide is O=C(Nc1ccc(C2CCCNC2)cc1)c1cnn(-c2ccc(OC(F)F)cc2)c1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-N-(4-piperidin-3-ylphenyl)pyrazole-4-carboxamide?
The InChIKey is QGWFZVHHFMLNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O2/c23-22(24)30-20-9-7-19(8-10-20)28-14-17(13-26-28)21(29)27-18-5-3-15(4-6-18)16-2-1-11-25-12-16/h3-10,13-14,16,22,25H,1-2,11-12H2,(H,27,29).
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-N-(4-piperidin-3-ylphenyl)pyrazole-4-carboxamide?
1-[4-(difluoromethoxy)phenyl]-N-(4-piperidin-3-ylphenyl)pyrazole-4-carboxamide has a molecular weight of 412.44 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-N-(4-piperidin-3-ylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 73442272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).