4-(5-chloro-2-fluorobenzoyl)-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide

C17H19ClFN5O2 — CID 51116250

IUPAC4-(5-chloro-2-fluorobenzoyl)-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCN(C(=O)c3cc(Cl)ccc3F)CC2)n(C)n1
InChIInChI=1S/C17H19ClFN5O2/c1-11-9-15(22(2)21-11)20-17(26)24-7-5-23(6-8-24)16(25)13-10-12(18)3-4-14(13)19/h3-4,9-10H,5-8H2,1-2H3,(H,20,26)
InChIKeyRCWZWXHMLAUPAH-UHFFFAOYSA-N
MW379.82 g/mol
LogP2.51
Rot. Bonds2

About 4-(5-chloro-2-fluorobenzoyl)-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide

4-(5-chloro-2-fluorobenzoyl)-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide (PubChem CID 51116250) has the molecular formula C17H19ClFN5O2 and a molecular weight of 379.82 g/mol. Its IUPAC name is 4-(5-chloro-2-fluorobenzoyl)-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-chloro-2-fluorobenzoyl)-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide
PubChem CID51116250
Molecular FormulaC17H19ClFN5O2
Molecular Weight379.82 g/mol
Exact Mass379.12
IUPAC Name4-(5-chloro-2-fluorobenzoyl)-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCN(C(=O)c3cc(Cl)ccc3F)CC2)n(C)n1
InChIInChI=1S/C17H19ClFN5O2/c1-11-9-15(22(2)21-11)20-17(26)24-7-5-23(6-8-24)16(25)13-10-12(18)3-4-14(13)19/h3-4,9-10H,5-8H2,1-2H3,(H,20,26)
InChIKeyRCWZWXHMLAUPAH-UHFFFAOYSA-N
XLogP2.51
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.82
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-chlorophenyl)methyl]-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide
CID 138041503
2,5-dichloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 45284555
azepan-1-yl-(5-chloro-2-fluorophenyl)methanone
CID 60675642
(5-chloro-2-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 60675583
4-(2,5-dimethylpyrazole-3-carbonyl)-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 51089036
(5-chloro-2-fluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 47136662
2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 55842443
(5-chloro-2-fluorophenyl)-piperazin-1-ylmethanone
CID 16769233
4-[2-(diethylamino)-2-oxoethyl]-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide
CID 60565258
[4-(5-chloro-2-fluorobenzoyl)-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone
CID 78850151
1-[4-(5-chloro-2-fluorobenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 61073381
N-(2,5-dimethylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 72843451

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-fluorobenzoyl)-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(5-chloro-2-fluorobenzoyl)-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide (CID 51116250) is 4-(5-chloro-2-fluorobenzoyl)-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(5-chloro-2-fluorobenzoyl)-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(5-chloro-2-fluorobenzoyl)-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide is Cc1cc(NC(=O)N2CCN(C(=O)c3cc(Cl)ccc3F)CC2)n(C)n1.
What is the InChIKey of 4-(5-chloro-2-fluorobenzoyl)-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide?
The InChIKey is RCWZWXHMLAUPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN5O2/c1-11-9-15(22(2)21-11)20-17(26)24-7-5-23(6-8-24)16(25)13-10-12(18)3-4-14(13)19/h3-4,9-10H,5-8H2,1-2H3,(H,20,26).
What are the key properties of 4-(5-chloro-2-fluorobenzoyl)-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide?
4-(5-chloro-2-fluorobenzoyl)-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide has a molecular weight of 379.82 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-fluorobenzoyl)-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 51116250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).