3-(furan-2-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylpyrazole-5-carboxamide

C25H25N5O2 — CID 24586512

IUPAC3-(furan-2-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylpyrazole-5-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)c3cc(-c4ccco4)nn3-c3ccccc3)cc2)CC1
InChIInChI=1S/C25H25N5O2/c1-28-13-15-29(16-14-28)20-11-9-19(10-12-20)26-25(31)23-18-22(24-8-5-17-32-24)27-30(23)21-6-3-2-4-7-21/h2-12,17-18H,13-16H2,1H3,(H,26,31)
InChIKeyKDDFRIJAXNBBAK-UHFFFAOYSA-N
MW427.51 g/mol
LogP4.14
Rot. Bonds5

About 3-(furan-2-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylpyrazole-5-carboxamide

3-(furan-2-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylpyrazole-5-carboxamide (PubChem CID 24586512) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylpyrazole-5-carboxamide
PubChem CID24586512
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name3-(furan-2-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylpyrazole-5-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)c3cc(-c4ccco4)nn3-c3ccccc3)cc2)CC1
InChIInChI=1S/C25H25N5O2/c1-28-13-15-29(16-14-28)20-11-9-19(10-12-20)26-25(31)23-18-22(24-8-5-17-32-24)27-30(23)21-6-3-2-4-7-21/h2-12,17-18H,13-16H2,1H3,(H,26,31)
InChIKeyKDDFRIJAXNBBAK-UHFFFAOYSA-N
XLogP4.14
TPSA66.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-(furan-2-yl)-N-(4-morpholin-4-ylphenyl)-1-phenylpyrazole-5-carboxamide
CID 42157664
3-(furan-2-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]-1-phenylpyrazole-5-carboxamide
CID 78890017
3-(furan-2-yl)-1-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazole-5-carboxamide
CID 46431893
3-(furan-2-yl)-1-phenyl-N-[3-(propanoylamino)phenyl]pyrazole-5-carboxamide
CID 46569851
[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 18266915
3-(furan-2-yl)-N-(5-methyl-2-pyridinyl)-1-phenylpyrazole-5-carboxamide
CID 46679794
N-[4-(4-ethylpiperazin-1-yl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 16557769
N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 55664409
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 49067429
3-(furan-2-yl)-N-(2-hydroxypropyl)-1-phenylpyrazole-5-carboxamide
CID 78855996
[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 42159681
3-(furan-2-yl)-N'-[2-(4-methoxyanilino)acetyl]-1-phenylpyrazole-5-carbohydrazide
CID 18228202

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylpyrazole-5-carboxamide?
The IUPAC name of 3-(furan-2-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylpyrazole-5-carboxamide (CID 24586512) is 3-(furan-2-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for 3-(furan-2-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylpyrazole-5-carboxamide is CN1CCN(c2ccc(NC(=O)c3cc(-c4ccco4)nn3-c3ccccc3)cc2)CC1.
What is the InChIKey of 3-(furan-2-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylpyrazole-5-carboxamide?
The InChIKey is KDDFRIJAXNBBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-28-13-15-29(16-14-28)20-11-9-19(10-12-20)26-25(31)23-18-22(24-8-5-17-32-24)27-30(23)21-6-3-2-4-7-21/h2-12,17-18H,13-16H2,1H3,(H,26,31).
What are the key properties of 3-(furan-2-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylpyrazole-5-carboxamide?
3-(furan-2-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylpyrazole-5-carboxamide has a molecular weight of 427.51 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 24586512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).