5-(2-methylpropyl)-N'-pyrimidin-2-yl-1H-pyrazole-3-carbohydrazide

C12H16N6O — CID 87035340

IUPAC5-(2-methylpropyl)-N'-pyrimidin-2-yl-1H-pyrazole-3-carbohydrazide
SMILESCC(C)Cc1cc(C(=O)NNc2ncccn2)n[nH]1
InChIInChI=1S/C12H16N6O/c1-8(2)6-9-7-10(16-15-9)11(19)17-18-12-13-4-3-5-14-12/h3-5,7-8H,6H2,1-2H3,(H,15,16)(H,17,19)(H,13,14,18)
InChIKeyVKINUQKNHPZVBO-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.16
Rot. Bonds5

About 5-(2-methylpropyl)-N'-pyrimidin-2-yl-1H-pyrazole-3-carbohydrazide

5-(2-methylpropyl)-N'-pyrimidin-2-yl-1H-pyrazole-3-carbohydrazide (PubChem CID 87035340) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-(2-methylpropyl)-N'-pyrimidin-2-yl-1H-pyrazole-3-carbohydrazide.

Molecular Properties

Compound Name5-(2-methylpropyl)-N'-pyrimidin-2-yl-1H-pyrazole-3-carbohydrazide
PubChem CID87035340
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name5-(2-methylpropyl)-N'-pyrimidin-2-yl-1H-pyrazole-3-carbohydrazide
SMILESCC(C)Cc1cc(C(=O)NNc2ncccn2)n[nH]1
InChIInChI=1S/C12H16N6O/c1-8(2)6-9-7-10(16-15-9)11(19)17-18-12-13-4-3-5-14-12/h3-5,7-8H,6H2,1-2H3,(H,15,16)(H,17,19)(H,13,14,18)
InChIKeyVKINUQKNHPZVBO-UHFFFAOYSA-N
XLogP1.16
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(2-methylpropyl)-N'-pyrimidin-2-yl-1H-pyrazole-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-N'-pyrimidin-2-yl-1H-pyrazole-3-carbohydrazide?
The IUPAC name of 5-(2-methylpropyl)-N'-pyrimidin-2-yl-1H-pyrazole-3-carbohydrazide (CID 87035340) is 5-(2-methylpropyl)-N'-pyrimidin-2-yl-1H-pyrazole-3-carbohydrazide.
What is the SMILES notation for 5-(2-methylpropyl)-N'-pyrimidin-2-yl-1H-pyrazole-3-carbohydrazide?
The canonical SMILES for 5-(2-methylpropyl)-N'-pyrimidin-2-yl-1H-pyrazole-3-carbohydrazide is CC(C)Cc1cc(C(=O)NNc2ncccn2)n[nH]1.
What is the InChIKey of 5-(2-methylpropyl)-N'-pyrimidin-2-yl-1H-pyrazole-3-carbohydrazide?
The InChIKey is VKINUQKNHPZVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-8(2)6-9-7-10(16-15-9)11(19)17-18-12-13-4-3-5-14-12/h3-5,7-8H,6H2,1-2H3,(H,15,16)(H,17,19)(H,13,14,18).
What are the key properties of 5-(2-methylpropyl)-N'-pyrimidin-2-yl-1H-pyrazole-3-carbohydrazide?
5-(2-methylpropyl)-N'-pyrimidin-2-yl-1H-pyrazole-3-carbohydrazide has a molecular weight of 260.30 g/mol, XLogP of 1.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-N'-pyrimidin-2-yl-1H-pyrazole-3-carbohydrazide is sourced from PubChem (CID 87035340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).