N-[4-(4-ethylpiperazin-1-yl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide

C26H27N5OS — CID 16557769

IUPACN-[4-(4-ethylpiperazin-1-yl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCCN1CCN(c2ccc(NC(=O)c3cc(-c4cccs4)nn3-c3ccccc3)cc2)CC1
InChIInChI=1S/C26H27N5OS/c1-2-29-14-16-30(17-15-29)21-12-10-20(11-13-21)27-26(32)24-19-23(25-9-6-18-33-25)28-31(24)22-7-4-3-5-8-22/h3-13,18-19H,2,14-17H2,1H3,(H,27,32)
InChIKeyBXKHKQHRSZEFGY-UHFFFAOYSA-N
MW457.60 g/mol
LogP4.99
Rot. Bonds6

About N-[4-(4-ethylpiperazin-1-yl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide

N-[4-(4-ethylpiperazin-1-yl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide (PubChem CID 16557769) has the molecular formula C26H27N5OS and a molecular weight of 457.60 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
PubChem CID16557769
Molecular FormulaC26H27N5OS
Molecular Weight457.60 g/mol
Exact Mass457.19
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCCN1CCN(c2ccc(NC(=O)c3cc(-c4cccs4)nn3-c3ccccc3)cc2)CC1
InChIInChI=1S/C26H27N5OS/c1-2-29-14-16-30(17-15-29)21-12-10-20(11-13-21)27-26(32)24-19-23(25-9-6-18-33-25)28-31(24)22-7-4-3-5-8-22/h3-13,18-19H,2,14-17H2,1H3,(H,27,32)
InChIKeyBXKHKQHRSZEFGY-UHFFFAOYSA-N
XLogP4.99
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.60
LogP ≤ 54.99
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

N-(4-methoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7899964
dimethyl 5-[(1-phenyl-3-thiophen-2-ylpyrazole-5-carbonyl)amino]benzene-1,3-dicarboxylate
CID 16552895
N-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
CID 7341667
N-(2-ethoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 2580293
3-(furan-2-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylpyrazole-5-carboxamide
CID 24586512
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 16603096
N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 3837739
N-(2,2-diethoxyethyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 4787832
1-phenyl-N-[(2S)-4-phenylbutan-2-yl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7249590
N'-(cyclohexanecarbonyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide
CID 8839263
3-[4-(4-ethylpiperazin-1-yl)anilino]-1-phenyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591782
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 18135858

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide (CID 16557769) is N-[4-(4-ethylpiperazin-1-yl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide is CCN1CCN(c2ccc(NC(=O)c3cc(-c4cccs4)nn3-c3ccccc3)cc2)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The InChIKey is BXKHKQHRSZEFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5OS/c1-2-29-14-16-30(17-15-29)21-12-10-20(11-13-21)27-26(32)24-19-23(25-9-6-18-33-25)28-31(24)22-7-4-3-5-8-22/h3-13,18-19H,2,14-17H2,1H3,(H,27,32).
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide?
N-[4-(4-ethylpiperazin-1-yl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide has a molecular weight of 457.60 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-1-yl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 16557769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).