4-methyl-N'-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperazine-1-carbohydrazide

C16H28N6O2 — CID 122141267

IUPAC4-methyl-N'-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperazine-1-carbohydrazide
SMILESCCC(CC)n1ncc(C(=O)NNC(=O)N2CCN(C)CC2)c1C
InChIInChI=1S/C16H28N6O2/c1-5-13(6-2)22-12(3)14(11-17-22)15(23)18-19-16(24)21-9-7-20(4)8-10-21/h11,13H,5-10H2,1-4H3,(H,18,23)(H,19,24)
InChIKeyDOQPOYXHXQISDJ-UHFFFAOYSA-N
MW336.44 g/mol
LogP1.15
Rot. Bonds4

About 4-methyl-N'-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperazine-1-carbohydrazide

4-methyl-N'-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperazine-1-carbohydrazide (PubChem CID 122141267) has the molecular formula C16H28N6O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-methyl-N'-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperazine-1-carbohydrazide.

Molecular Properties

Compound Name4-methyl-N'-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperazine-1-carbohydrazide
PubChem CID122141267
Molecular FormulaC16H28N6O2
Molecular Weight336.44 g/mol
Exact Mass336.23
IUPAC Name4-methyl-N'-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperazine-1-carbohydrazide
SMILESCCC(CC)n1ncc(C(=O)NNC(=O)N2CCN(C)CC2)c1C
InChIInChI=1S/C16H28N6O2/c1-5-13(6-2)22-12(3)14(11-17-22)15(23)18-19-16(24)21-9-7-20(4)8-10-21/h11,13H,5-10H2,1-4H3,(H,18,23)(H,19,24)
InChIKeyDOQPOYXHXQISDJ-UHFFFAOYSA-N
XLogP1.15
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(5-methyl-1-pentan-3-ylpyrazol-4-yl)ethanone
CID 61271115
2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 120523692
3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]butanoic acid
CID 120522803
4-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]benzoic acid
CID 120515305
2-methyl-3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 120525842
1-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120515128
3-methyl-2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]pentanoic acid
CID 120520920
N-[(1,1-dioxothiolan-2-yl)methyl]-5-methyl-1-pentan-3-ylpyrazole-4-carboxamide
CID 126807133
3-methyl-4-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]butanoic acid
CID 120537175
3-ethyl-3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]pentanoic acid
CID 120532617
5-methyl-N-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-1-pentan-3-ylpyrazole-4-carboxamide
CID 122141640
2-chloro-4-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]benzoic acid
CID 120515659

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperazine-1-carbohydrazide?
The IUPAC name of 4-methyl-N'-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperazine-1-carbohydrazide (CID 122141267) is 4-methyl-N'-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperazine-1-carbohydrazide.
What is the SMILES notation for 4-methyl-N'-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperazine-1-carbohydrazide?
The canonical SMILES for 4-methyl-N'-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperazine-1-carbohydrazide is CCC(CC)n1ncc(C(=O)NNC(=O)N2CCN(C)CC2)c1C.
What is the InChIKey of 4-methyl-N'-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperazine-1-carbohydrazide?
The InChIKey is DOQPOYXHXQISDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6O2/c1-5-13(6-2)22-12(3)14(11-17-22)15(23)18-19-16(24)21-9-7-20(4)8-10-21/h11,13H,5-10H2,1-4H3,(H,18,23)(H,19,24).
What are the key properties of 4-methyl-N'-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperazine-1-carbohydrazide?
4-methyl-N'-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperazine-1-carbohydrazide has a molecular weight of 336.44 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperazine-1-carbohydrazide is sourced from PubChem (CID 122141267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).