N'-(cyclopropanecarbonyl)-5-methyl-1H-pyrazole-3-carbohydrazide

C9H12N4O2 — CID 968944

IUPACN'-(cyclopropanecarbonyl)-5-methyl-1H-pyrazole-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)C2CC2)n[nH]1
InChIInChI=1S/C9H12N4O2/c1-5-4-7(11-10-5)9(15)13-12-8(14)6-2-3-6/h4,6H,2-3H2,1H3,(H,10,11)(H,12,14)(H,13,15)
InChIKeyWRHDMGDTBVCPSY-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.11
Rot. Bonds2

About N'-(cyclopropanecarbonyl)-5-methyl-1H-pyrazole-3-carbohydrazide

N'-(cyclopropanecarbonyl)-5-methyl-1H-pyrazole-3-carbohydrazide (PubChem CID 968944) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is N'-(cyclopropanecarbonyl)-5-methyl-1H-pyrazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(cyclopropanecarbonyl)-5-methyl-1H-pyrazole-3-carbohydrazide
PubChem CID968944
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC NameN'-(cyclopropanecarbonyl)-5-methyl-1H-pyrazole-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)C2CC2)n[nH]1
InChIInChI=1S/C9H12N4O2/c1-5-4-7(11-10-5)9(15)13-12-8(14)6-2-3-6/h4,6H,2-3H2,1H3,(H,10,11)(H,12,14)(H,13,15)
InChIKeyWRHDMGDTBVCPSY-UHFFFAOYSA-N
XLogP-0.11
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropanecarbonyl)-5-methyl-1H-pyrazole-3-carbohydrazide?
The IUPAC name of N'-(cyclopropanecarbonyl)-5-methyl-1H-pyrazole-3-carbohydrazide (CID 968944) is N'-(cyclopropanecarbonyl)-5-methyl-1H-pyrazole-3-carbohydrazide.
What is the SMILES notation for N'-(cyclopropanecarbonyl)-5-methyl-1H-pyrazole-3-carbohydrazide?
The canonical SMILES for N'-(cyclopropanecarbonyl)-5-methyl-1H-pyrazole-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)C2CC2)n[nH]1.
What is the InChIKey of N'-(cyclopropanecarbonyl)-5-methyl-1H-pyrazole-3-carbohydrazide?
The InChIKey is WRHDMGDTBVCPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-5-4-7(11-10-5)9(15)13-12-8(14)6-2-3-6/h4,6H,2-3H2,1H3,(H,10,11)(H,12,14)(H,13,15).
What are the key properties of N'-(cyclopropanecarbonyl)-5-methyl-1H-pyrazole-3-carbohydrazide?
N'-(cyclopropanecarbonyl)-5-methyl-1H-pyrazole-3-carbohydrazide has a molecular weight of 208.22 g/mol, XLogP of -0.11, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropanecarbonyl)-5-methyl-1H-pyrazole-3-carbohydrazide is sourced from PubChem (CID 968944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).