2-(4-chloro-3-methylpyrazol-1-yl)propanehydrazide

C7H11ClN4O — CID 17024605

IUPAC2-(4-chloro-3-methylpyrazol-1-yl)propanehydrazide
SMILESCc1nn(C(C)C(=O)NN)cc1Cl
InChIInChI=1S/C7H11ClN4O/c1-4-6(8)3-12(11-4)5(2)7(13)10-9/h3,5H,9H2,1-2H3,(H,10,13)
InChIKeySZGUTHHOTOSBPU-UHFFFAOYSA-N
MW202.65 g/mol
LogP0.40
Rot. Bonds2

About 2-(4-chloro-3-methylpyrazol-1-yl)propanehydrazide

2-(4-chloro-3-methylpyrazol-1-yl)propanehydrazide (PubChem CID 17024605) has the molecular formula C7H11ClN4O and a molecular weight of 202.65 g/mol. Its IUPAC name is 2-(4-chloro-3-methylpyrazol-1-yl)propanehydrazide.

Molecular Properties

Compound Name2-(4-chloro-3-methylpyrazol-1-yl)propanehydrazide
PubChem CID17024605
Molecular FormulaC7H11ClN4O
Molecular Weight202.65 g/mol
Exact Mass202.06
IUPAC Name2-(4-chloro-3-methylpyrazol-1-yl)propanehydrazide
SMILESCc1nn(C(C)C(=O)NN)cc1Cl
InChIInChI=1S/C7H11ClN4O/c1-4-6(8)3-12(11-4)5(2)7(13)10-9/h3,5H,9H2,1-2H3,(H,10,13)
InChIKeySZGUTHHOTOSBPU-UHFFFAOYSA-N
XLogP0.40
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.65
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylpyrazol-1-yl)propanehydrazide?
The IUPAC name of 2-(4-chloro-3-methylpyrazol-1-yl)propanehydrazide (CID 17024605) is 2-(4-chloro-3-methylpyrazol-1-yl)propanehydrazide.
What is the SMILES notation for 2-(4-chloro-3-methylpyrazol-1-yl)propanehydrazide?
The canonical SMILES for 2-(4-chloro-3-methylpyrazol-1-yl)propanehydrazide is Cc1nn(C(C)C(=O)NN)cc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylpyrazol-1-yl)propanehydrazide?
The InChIKey is SZGUTHHOTOSBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN4O/c1-4-6(8)3-12(11-4)5(2)7(13)10-9/h3,5H,9H2,1-2H3,(H,10,13).
What are the key properties of 2-(4-chloro-3-methylpyrazol-1-yl)propanehydrazide?
2-(4-chloro-3-methylpyrazol-1-yl)propanehydrazide has a molecular weight of 202.65 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylpyrazol-1-yl)propanehydrazide is sourced from PubChem (CID 17024605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).