4-[(4-chlorophenyl)methyl]-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide

C17H22ClN5O — CID 138041503

IUPAC4-[(4-chlorophenyl)methyl]-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)n(C)n1
InChIInChI=1S/C17H22ClN5O/c1-13-11-16(21(2)20-13)19-17(24)23-9-7-22(8-10-23)12-14-3-5-15(18)6-4-14/h3-6,11H,7-10,12H2,1-2H3,(H,19,24)
InChIKeyXAAAFJUGUKIVQJ-UHFFFAOYSA-N
MW347.85 g/mol
LogP2.73
Rot. Bonds3

About 4-[(4-chlorophenyl)methyl]-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide

4-[(4-chlorophenyl)methyl]-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide (PubChem CID 138041503) has the molecular formula C17H22ClN5O and a molecular weight of 347.85 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide
PubChem CID138041503
Molecular FormulaC17H22ClN5O
Molecular Weight347.85 g/mol
Exact Mass347.15
IUPAC Name4-[(4-chlorophenyl)methyl]-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)n(C)n1
InChIInChI=1S/C17H22ClN5O/c1-13-11-16(21(2)20-13)19-17(24)23-9-7-22(8-10-23)12-14-3-5-15(18)6-4-14/h3-6,11H,7-10,12H2,1-2H3,(H,19,24)
InChIKeyXAAAFJUGUKIVQJ-UHFFFAOYSA-N
XLogP2.73
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-chloro-2-fluorobenzoyl)-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide
CID 51116250
4-[(4-chlorophenyl)methyl]-N-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113107874
2-benzyl-N-(2,5-dimethylpyrazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 127685633
N-(3-chloro-4-methylphenyl)-4-[(4-chlorophenyl)methyl]piperazine-1-carboxamide
CID 113107888
4-[(4-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 113107875
2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 36845381
4-[2-(diethylamino)-2-oxoethyl]-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide
CID 60565258
4-[(4-chlorophenyl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide
CID 6471022
N-(2,5-dimethylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 72843451
4-[(4-chlorophenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)-1,4-diazepane-1-carboxamide
CID 18144051
4-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]piperazine-1-carboxamide
CID 52934262
4-[(4-chlorophenyl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113107881

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide (CID 138041503) is 4-[(4-chlorophenyl)methyl]-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide is Cc1cc(NC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)n(C)n1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide?
The InChIKey is XAAAFJUGUKIVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O/c1-13-11-16(21(2)20-13)19-17(24)23-9-7-22(8-10-23)12-14-3-5-15(18)6-4-14/h3-6,11H,7-10,12H2,1-2H3,(H,19,24).
What are the key properties of 4-[(4-chlorophenyl)methyl]-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide?
4-[(4-chlorophenyl)methyl]-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide has a molecular weight of 347.85 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 138041503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).