3-(furan-2-yl)-1-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazole-5-carboxamide

C27H29N5O2 — CID 46431893

IUPAC3-(furan-2-yl)-1-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazole-5-carboxamide
SMILESO=C(NCCCN1CCN(c2ccccc2)CC1)c1cc(-c2ccco2)nn1-c1ccccc1
InChIInChI=1S/C27H29N5O2/c33-27(28-14-8-15-30-16-18-31(19-17-30)22-9-3-1-4-10-22)25-21-24(26-13-7-20-34-26)29-32(25)23-11-5-2-6-12-23/h1-7,9-13,20-21H,8,14-19H2,(H,28,33)
InChIKeyDAGCKONDRKHENE-UHFFFAOYSA-N
MW455.56 g/mol
LogP4.07
Rot. Bonds8

About 3-(furan-2-yl)-1-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazole-5-carboxamide

3-(furan-2-yl)-1-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazole-5-carboxamide (PubChem CID 46431893) has the molecular formula C27H29N5O2 and a molecular weight of 455.56 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(furan-2-yl)-1-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazole-5-carboxamide
PubChem CID46431893
Molecular FormulaC27H29N5O2
Molecular Weight455.56 g/mol
Exact Mass455.23
IUPAC Name3-(furan-2-yl)-1-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazole-5-carboxamide
SMILESO=C(NCCCN1CCN(c2ccccc2)CC1)c1cc(-c2ccco2)nn1-c1ccccc1
InChIInChI=1S/C27H29N5O2/c33-27(28-14-8-15-30-16-18-31(19-17-30)22-9-3-1-4-10-22)25-21-24(26-13-7-20-34-26)29-32(25)23-11-5-2-6-12-23/h1-7,9-13,20-21H,8,14-19H2,(H,28,33)
InChIKeyDAGCKONDRKHENE-UHFFFAOYSA-N
XLogP4.07
TPSA66.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(furan-2-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]-1-phenylpyrazole-5-carboxamide
CID 18270649
3-(furan-2-yl)-1-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide
CID 3293826
1-(4-fluorophenyl)-3-(furan-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide
CID 42762271
3-(furan-2-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylpyrazole-5-carboxamide
CID 24586512
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 49067429
1-(3-chlorophenyl)-3-(furan-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide
CID 1053514
3-(furan-2-yl)-N-(4-morpholin-4-ylphenyl)-1-phenylpyrazole-5-carboxamide
CID 42157664
3-(furan-2-yl)-1-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide
CID 1053861
3-(furan-2-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-1-phenylpyrazole-5-carboxamide
CID 55720293
3-(furan-2-yl)-N-(2-hydroxypropyl)-1-phenylpyrazole-5-carboxamide
CID 78855996
N-butyl-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 3946312
2-[4-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55489403

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazole-5-carboxamide?
The IUPAC name of 3-(furan-2-yl)-1-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazole-5-carboxamide (CID 46431893) is 3-(furan-2-yl)-1-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(furan-2-yl)-1-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-(furan-2-yl)-1-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazole-5-carboxamide is O=C(NCCCN1CCN(c2ccccc2)CC1)c1cc(-c2ccco2)nn1-c1ccccc1.
What is the InChIKey of 3-(furan-2-yl)-1-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazole-5-carboxamide?
The InChIKey is DAGCKONDRKHENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O2/c33-27(28-14-8-15-30-16-18-31(19-17-30)22-9-3-1-4-10-22)25-21-24(26-13-7-20-34-26)29-32(25)23-11-5-2-6-12-23/h1-7,9-13,20-21H,8,14-19H2,(H,28,33).
What are the key properties of 3-(furan-2-yl)-1-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazole-5-carboxamide?
3-(furan-2-yl)-1-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazole-5-carboxamide has a molecular weight of 455.56 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazole-5-carboxamide is sourced from PubChem (CID 46431893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).