3-phenyl-N-(4-piperazin-1-ylphenyl)-1-propylpyrazole-5-carboxamide

C23H27N5O — CID 66738117

IUPAC3-phenyl-N-(4-piperazin-1-ylphenyl)-1-propylpyrazole-5-carboxamide
SMILESCCCn1nc(-c2ccccc2)cc1C(=O)Nc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C23H27N5O/c1-2-14-28-22(17-21(26-28)18-6-4-3-5-7-18)23(29)25-19-8-10-20(11-9-19)27-15-12-24-13-16-27/h3-11,17,24H,2,12-16H2,1H3,(H,25,29)
InChIKeyNKDWKTWFLREROR-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.62
Rot. Bonds6

About 3-phenyl-N-(4-piperazin-1-ylphenyl)-1-propylpyrazole-5-carboxamide

3-phenyl-N-(4-piperazin-1-ylphenyl)-1-propylpyrazole-5-carboxamide (PubChem CID 66738117) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 3-phenyl-N-(4-piperazin-1-ylphenyl)-1-propylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-(4-piperazin-1-ylphenyl)-1-propylpyrazole-5-carboxamide
PubChem CID66738117
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name3-phenyl-N-(4-piperazin-1-ylphenyl)-1-propylpyrazole-5-carboxamide
SMILESCCCn1nc(-c2ccccc2)cc1C(=O)Nc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C23H27N5O/c1-2-14-28-22(17-21(26-28)18-6-4-3-5-7-18)23(29)25-19-8-10-20(11-9-19)27-15-12-24-13-16-27/h3-11,17,24H,2,12-16H2,1H3,(H,25,29)
InChIKeyNKDWKTWFLREROR-UHFFFAOYSA-N
XLogP3.62
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-1-propyl-N-[4-(pyrimidin-2-ylamino)sulfanylphenyl]pyrazole-5-carboxamide
CID 145039706
N-[4-(4-methoxypiperidin-1-yl)phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 90595800
N-(4-benzoylphenyl)-4-piperazin-1-ylbenzamide
CID 174547037
3-methyl-1-phenyl-N-(4-piperazin-1-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 66819349
1-ethyl-1-methyl-3-(4-piperazin-1-ylphenyl)urea
CID 79159730
4-phenyl-N-(4-piperazin-1-ylphenyl)-1,3-thiazol-2-amine
CID 117097264
2-hydroxy-N-phenyl-4-piperazin-1-ylbenzamide
CID 126622011
2-[4-[(4-piperazin-1-ylbenzoyl)amino]phenoxy]propanoic acid
CID 54057200
1-(2-ethoxyphenyl)-3-(4-piperazin-1-ylphenyl)urea
CID 69448711
N-(4-piperazin-1-ylphenyl)-5-(2,2,2-triphenylethyl)-1H-imidazole-2-carboxamide
CID 173223055
N-(4-methylphenyl)-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 58015796
3-(3-methoxyphenyl)-N-[4-(4-methoxypiperidin-1-yl)phenyl]-1-methylpyrazole-5-carboxamide
CID 71809697

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(4-piperazin-1-ylphenyl)-1-propylpyrazole-5-carboxamide?
The IUPAC name of 3-phenyl-N-(4-piperazin-1-ylphenyl)-1-propylpyrazole-5-carboxamide (CID 66738117) is 3-phenyl-N-(4-piperazin-1-ylphenyl)-1-propylpyrazole-5-carboxamide.
What is the SMILES notation for 3-phenyl-N-(4-piperazin-1-ylphenyl)-1-propylpyrazole-5-carboxamide?
The canonical SMILES for 3-phenyl-N-(4-piperazin-1-ylphenyl)-1-propylpyrazole-5-carboxamide is CCCn1nc(-c2ccccc2)cc1C(=O)Nc1ccc(N2CCNCC2)cc1.
What is the InChIKey of 3-phenyl-N-(4-piperazin-1-ylphenyl)-1-propylpyrazole-5-carboxamide?
The InChIKey is NKDWKTWFLREROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-2-14-28-22(17-21(26-28)18-6-4-3-5-7-18)23(29)25-19-8-10-20(11-9-19)27-15-12-24-13-16-27/h3-11,17,24H,2,12-16H2,1H3,(H,25,29).
What are the key properties of 3-phenyl-N-(4-piperazin-1-ylphenyl)-1-propylpyrazole-5-carboxamide?
3-phenyl-N-(4-piperazin-1-ylphenyl)-1-propylpyrazole-5-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(4-piperazin-1-ylphenyl)-1-propylpyrazole-5-carboxamide is sourced from PubChem (CID 66738117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).