N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-5-(4-fluorophenyl)furan-2-carboxamide

C24H19F2N5O2 — CID 39003043

IUPACN-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-5-(4-fluorophenyl)furan-2-carboxamide
SMILESN#Cc1c(CCCNC(=O)c2ccc(-c3ccc(F)cc3)o2)nn(-c2ccc(F)cc2)c1N
InChIInChI=1S/C24H19F2N5O2/c25-16-5-3-15(4-6-16)21-11-12-22(33-21)24(32)29-13-1-2-20-19(14-27)23(28)31(30-20)18-9-7-17(26)8-10-18/h3-12H,1-2,13,28H2,(H,29,32)
InChIKeyUTOPVABUUGZKOM-UHFFFAOYSA-N
MW447.45 g/mol
LogP4.23
Rot. Bonds7

About N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-5-(4-fluorophenyl)furan-2-carboxamide

N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-5-(4-fluorophenyl)furan-2-carboxamide (PubChem CID 39003043) has the molecular formula C24H19F2N5O2 and a molecular weight of 447.45 g/mol. Its IUPAC name is N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-5-(4-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-5-(4-fluorophenyl)furan-2-carboxamide
PubChem CID39003043
Molecular FormulaC24H19F2N5O2
Molecular Weight447.45 g/mol
Exact Mass447.15
IUPAC NameN-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-5-(4-fluorophenyl)furan-2-carboxamide
SMILESN#Cc1c(CCCNC(=O)c2ccc(-c3ccc(F)cc3)o2)nn(-c2ccc(F)cc2)c1N
InChIInChI=1S/C24H19F2N5O2/c25-16-5-3-15(4-6-16)21-11-12-22(33-21)24(32)29-13-1-2-20-19(14-27)23(28)31(30-20)18-9-7-17(26)8-10-18/h3-12H,1-2,13,28H2,(H,29,32)
InChIKeyUTOPVABUUGZKOM-UHFFFAOYSA-N
XLogP4.23
TPSA109.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.45
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-5-(4-fluorophenyl)furan-2-carboxamide?
The IUPAC name of N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-5-(4-fluorophenyl)furan-2-carboxamide (CID 39003043) is N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-5-(4-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-5-(4-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-5-(4-fluorophenyl)furan-2-carboxamide is N#Cc1c(CCCNC(=O)c2ccc(-c3ccc(F)cc3)o2)nn(-c2ccc(F)cc2)c1N.
What is the InChIKey of N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-5-(4-fluorophenyl)furan-2-carboxamide?
The InChIKey is UTOPVABUUGZKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N5O2/c25-16-5-3-15(4-6-16)21-11-12-22(33-21)24(32)29-13-1-2-20-19(14-27)23(28)31(30-20)18-9-7-17(26)8-10-18/h3-12H,1-2,13,28H2,(H,29,32).
What are the key properties of N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-5-(4-fluorophenyl)furan-2-carboxamide?
N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-5-(4-fluorophenyl)furan-2-carboxamide has a molecular weight of 447.45 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-5-(4-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 39003043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).