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

C21H20F2N4O2 — CID 73442271

IUPAC1-[4-(difluoromethoxy)phenyl]-N-(4-pyrrolidin-3-ylphenyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(C2CCNC2)cc1)c1cnn(-c2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C21H20F2N4O2/c22-21(23)29-19-7-5-18(6-8-19)27-13-16(12-25-27)20(28)26-17-3-1-14(2-4-17)15-9-10-24-11-15/h1-8,12-13,15,21,24H,9-11H2,(H,26,28)
InChIKeyRKYOJRPSIQOCEI-UHFFFAOYSA-N
MW398.41 g/mol
LogP3.80
Rot. Bonds6

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

1-[4-(difluoromethoxy)phenyl]-N-(4-pyrrolidin-3-ylphenyl)pyrazole-4-carboxamide (PubChem CID 73442271) has the molecular formula C21H20F2N4O2 and a molecular weight of 398.41 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-N-(4-pyrrolidin-3-ylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-N-(4-pyrrolidin-3-ylphenyl)pyrazole-4-carboxamide
PubChem CID73442271
Molecular FormulaC21H20F2N4O2
Molecular Weight398.41 g/mol
Exact Mass398.16
IUPAC Name1-[4-(difluoromethoxy)phenyl]-N-(4-pyrrolidin-3-ylphenyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(C2CCNC2)cc1)c1cnn(-c2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C21H20F2N4O2/c22-21(23)29-19-7-5-18(6-8-19)27-13-16(12-25-27)20(28)26-17-3-1-14(2-4-17)15-9-10-24-11-15/h1-8,12-13,15,21,24H,9-11H2,(H,26,28)
InChIKeyRKYOJRPSIQOCEI-UHFFFAOYSA-N
XLogP3.80
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N-(4-pyrrolidin-3-ylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N-(4-pyrrolidin-3-ylphenyl)pyrazole-4-carboxamide (CID 73442271) is 1-[4-(difluoromethoxy)phenyl]-N-(4-pyrrolidin-3-ylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-N-(4-pyrrolidin-3-ylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-N-(4-pyrrolidin-3-ylphenyl)pyrazole-4-carboxamide is O=C(Nc1ccc(C2CCNC2)cc1)c1cnn(-c2ccc(OC(F)F)cc2)c1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-N-(4-pyrrolidin-3-ylphenyl)pyrazole-4-carboxamide?
The InChIKey is RKYOJRPSIQOCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O2/c22-21(23)29-19-7-5-18(6-8-19)27-13-16(12-25-27)20(28)26-17-3-1-14(2-4-17)15-9-10-24-11-15/h1-8,12-13,15,21,24H,9-11H2,(H,26,28).
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-N-(4-pyrrolidin-3-ylphenyl)pyrazole-4-carboxamide?
1-[4-(difluoromethoxy)phenyl]-N-(4-pyrrolidin-3-ylphenyl)pyrazole-4-carboxamide has a molecular weight of 398.41 g/mol, XLogP of 3.80, 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-pyrrolidin-3-ylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 73442271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).