1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]piperidine-4-carbohydrazide

C13H20ClN5O2 — CID 63577626

IUPAC1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]piperidine-4-carbohydrazide
SMILESCc1nn(CC(=O)N2CCC(C(=O)NN)CC2)c(C)c1Cl
InChIInChI=1S/C13H20ClN5O2/c1-8-12(14)9(2)19(17-8)7-11(20)18-5-3-10(4-6-18)13(21)16-15/h10H,3-7,15H2,1-2H3,(H,16,21)
InChIKeyNYPZLUKKTYMXQZ-UHFFFAOYSA-N
MW313.79 g/mol
LogP0.38
Rot. Bonds3

About 1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]piperidine-4-carbohydrazide

1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]piperidine-4-carbohydrazide (PubChem CID 63577626) has the molecular formula C13H20ClN5O2 and a molecular weight of 313.79 g/mol. Its IUPAC name is 1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]piperidine-4-carbohydrazide
PubChem CID63577626
Molecular FormulaC13H20ClN5O2
Molecular Weight313.79 g/mol
Exact Mass313.13
IUPAC Name1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]piperidine-4-carbohydrazide
SMILESCc1nn(CC(=O)N2CCC(C(=O)NN)CC2)c(C)c1Cl
InChIInChI=1S/C13H20ClN5O2/c1-8-12(14)9(2)19(17-8)7-11(20)18-5-3-10(4-6-18)13(21)16-15/h10H,3-7,15H2,1-2H3,(H,16,21)
InChIKeyNYPZLUKKTYMXQZ-UHFFFAOYSA-N
XLogP0.38
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanone
CID 154834841
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 110023388
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone
CID 95758834
1-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanone
CID 72901712
1-[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanone
CID 133118417
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 56725380
1-[2-(4-methylpyrazol-1-yl)acetyl]piperidine-4-carbohydrazide
CID 55213875
8-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 56796265
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 154836877
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethanone
CID 118787314
1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-4-carbohydrazide
CID 63578835
ethyl 1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]piperidine-4-carboxylate
CID 56725387

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]piperidine-4-carbohydrazide?
The IUPAC name of 1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]piperidine-4-carbohydrazide (CID 63577626) is 1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]piperidine-4-carbohydrazide.
What is the SMILES notation for 1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]piperidine-4-carbohydrazide?
The canonical SMILES for 1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]piperidine-4-carbohydrazide is Cc1nn(CC(=O)N2CCC(C(=O)NN)CC2)c(C)c1Cl.
What is the InChIKey of 1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]piperidine-4-carbohydrazide?
The InChIKey is NYPZLUKKTYMXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN5O2/c1-8-12(14)9(2)19(17-8)7-11(20)18-5-3-10(4-6-18)13(21)16-15/h10H,3-7,15H2,1-2H3,(H,16,21).
What are the key properties of 1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]piperidine-4-carbohydrazide?
1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]piperidine-4-carbohydrazide has a molecular weight of 313.79 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]piperidine-4-carbohydrazide is sourced from PubChem (CID 63577626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).