4-(2,5-dimethylpyrazole-3-carbonyl)-N-(4-fluorophenyl)piperazine-1-carboxamide

C17H20FN5O2 — CID 51089036

IUPAC4-(2,5-dimethylpyrazole-3-carbonyl)-N-(4-fluorophenyl)piperazine-1-carboxamide
SMILESCc1cc(C(=O)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)n(C)n1
InChIInChI=1S/C17H20FN5O2/c1-12-11-15(21(2)20-12)16(24)22-7-9-23(10-8-22)17(25)19-14-5-3-13(18)4-6-14/h3-6,11H,7-10H2,1-2H3,(H,19,25)
InChIKeyAFOCYQBXYWSVEE-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.86
Rot. Bonds2

About 4-(2,5-dimethylpyrazole-3-carbonyl)-N-(4-fluorophenyl)piperazine-1-carboxamide

4-(2,5-dimethylpyrazole-3-carbonyl)-N-(4-fluorophenyl)piperazine-1-carboxamide (PubChem CID 51089036) has the molecular formula C17H20FN5O2 and a molecular weight of 345.38 g/mol. Its IUPAC name is 4-(2,5-dimethylpyrazole-3-carbonyl)-N-(4-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,5-dimethylpyrazole-3-carbonyl)-N-(4-fluorophenyl)piperazine-1-carboxamide
PubChem CID51089036
Molecular FormulaC17H20FN5O2
Molecular Weight345.38 g/mol
Exact Mass345.16
IUPAC Name4-(2,5-dimethylpyrazole-3-carbonyl)-N-(4-fluorophenyl)piperazine-1-carboxamide
SMILESCc1cc(C(=O)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)n(C)n1
InChIInChI=1S/C17H20FN5O2/c1-12-11-15(21(2)20-12)16(24)22-7-9-23(10-8-22)17(25)19-14-5-3-13(18)4-6-14/h3-6,11H,7-10H2,1-2H3,(H,19,25)
InChIKeyAFOCYQBXYWSVEE-UHFFFAOYSA-N
XLogP1.86
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2,5-dimethylpyrazole-3-carbonyl)-N-(4-fluorophenyl)piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 110685852
(2,5-dimethylpyrazol-3-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119402592
(2,5-dimethylpyrazol-3-yl)-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19479068
(2,5-dimethylpyrazol-3-yl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 16952865
(2,5-dimethylpyrazol-3-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 66126872
4-(5-chloro-2-fluorobenzoyl)-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide
CID 51116250
[4-(2-aminoethyl)piperazin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 66129011
N-(4-bromophenyl)-4-(4-fluorobenzoyl)-1,4-diazepane-1-carboxamide
CID 112824347
[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 70768505
N-(4-fluorophenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 3030092
N-(6-fluoro-3-pyridinyl)-2,5-dimethylpyrazole-3-carboxamide
CID 103789986
(4-benzylpiperazin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 59382180

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylpyrazole-3-carbonyl)-N-(4-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2,5-dimethylpyrazole-3-carbonyl)-N-(4-fluorophenyl)piperazine-1-carboxamide (CID 51089036) is 4-(2,5-dimethylpyrazole-3-carbonyl)-N-(4-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,5-dimethylpyrazole-3-carbonyl)-N-(4-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2,5-dimethylpyrazole-3-carbonyl)-N-(4-fluorophenyl)piperazine-1-carboxamide is Cc1cc(C(=O)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)n(C)n1.
What is the InChIKey of 4-(2,5-dimethylpyrazole-3-carbonyl)-N-(4-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is AFOCYQBXYWSVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O2/c1-12-11-15(21(2)20-12)16(24)22-7-9-23(10-8-22)17(25)19-14-5-3-13(18)4-6-14/h3-6,11H,7-10H2,1-2H3,(H,19,25).
What are the key properties of 4-(2,5-dimethylpyrazole-3-carbonyl)-N-(4-fluorophenyl)piperazine-1-carboxamide?
4-(2,5-dimethylpyrazole-3-carbonyl)-N-(4-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 345.38 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylpyrazole-3-carbonyl)-N-(4-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 51089036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).