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

C26H24FN5O2 — CID 38785002

IUPACN-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
SMILESN#Cc1c(CCCNC(=O)CCc2ccc(-c3ccccc3F)o2)nn(-c2ccccc2)c1N
InChIInChI=1S/C26H24FN5O2/c27-22-10-5-4-9-20(22)24-14-12-19(34-24)13-15-25(33)30-16-6-11-23-21(17-28)26(29)32(31-23)18-7-2-1-3-8-18/h1-5,7-10,12,14H,6,11,13,15-16,29H2,(H,30,33)
InChIKeyFXYOXFJZLTUFDM-UHFFFAOYSA-N
MW457.51 g/mol
LogP4.41
Rot. Bonds9

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

N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide (PubChem CID 38785002) has the molecular formula C26H24FN5O2 and a molecular weight of 457.51 g/mol. Its IUPAC name is N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide.

Molecular Properties

Compound NameN-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
PubChem CID38785002
Molecular FormulaC26H24FN5O2
Molecular Weight457.51 g/mol
Exact Mass457.19
IUPAC NameN-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
SMILESN#Cc1c(CCCNC(=O)CCc2ccc(-c3ccccc3F)o2)nn(-c2ccccc2)c1N
InChIInChI=1S/C26H24FN5O2/c27-22-10-5-4-9-20(22)24-14-12-19(34-24)13-15-25(33)30-16-6-11-23-21(17-28)26(29)32(31-23)18-7-2-1-3-8-18/h1-5,7-10,12,14H,6,11,13,15-16,29H2,(H,30,33)
InChIKeyFXYOXFJZLTUFDM-UHFFFAOYSA-N
XLogP4.41
TPSA109.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 54.41
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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Related Compounds

N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 55584740
N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 55913014
N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 39003043
N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 46411593
N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 38307287
1-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-(2-thiophen-2-ylethyl)urea
CID 134006715
N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 55653374
3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide
CID 30885363
3-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylcarbamoylamino]propanoic acid
CID 122019327
1-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-[(5-chlorothiophen-2-yl)methyl]urea
CID 55809256
1-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine
CID 111265683
N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-nitrobenzamide
CID 38784646

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide?
The IUPAC name of N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide (CID 38785002) is N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide.
What is the SMILES notation for N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide?
The canonical SMILES for N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide is N#Cc1c(CCCNC(=O)CCc2ccc(-c3ccccc3F)o2)nn(-c2ccccc2)c1N.
What is the InChIKey of N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide?
The InChIKey is FXYOXFJZLTUFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O2/c27-22-10-5-4-9-20(22)24-14-12-19(34-24)13-15-25(33)30-16-6-11-23-21(17-28)26(29)32(31-23)18-7-2-1-3-8-18/h1-5,7-10,12,14H,6,11,13,15-16,29H2,(H,30,33).
What are the key properties of N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide?
N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide has a molecular weight of 457.51 g/mol, XLogP of 4.41, 9 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-phenylpyrazol-3-yl)propyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide is sourced from PubChem (CID 38785002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).