N'-(4,6-dimethylpyrimidin-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide

C17H17F3N4O — CID 71899915

IUPACN'-(4,6-dimethylpyrimidin-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide
SMILESCc1cc(C)nc(NNC(=O)C2CC2c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C17H17F3N4O/c1-9-7-10(2)22-16(21-9)24-23-15(25)13-8-12(13)11-5-3-4-6-14(11)17(18,19)20/h3-7,12-13H,8H2,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyRHZWIQKELBXCDD-UHFFFAOYSA-N
MW350.34 g/mol
LogP3.36
Rot. Bonds4

About N'-(4,6-dimethylpyrimidin-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide

N'-(4,6-dimethylpyrimidin-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide (PubChem CID 71899915) has the molecular formula C17H17F3N4O and a molecular weight of 350.34 g/mol. Its IUPAC name is N'-(4,6-dimethylpyrimidin-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide.

Molecular Properties

Compound NameN'-(4,6-dimethylpyrimidin-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide
PubChem CID71899915
Molecular FormulaC17H17F3N4O
Molecular Weight350.34 g/mol
Exact Mass350.14
IUPAC NameN'-(4,6-dimethylpyrimidin-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide
SMILESCc1cc(C)nc(NNC(=O)C2CC2c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C17H17F3N4O/c1-9-7-10(2)22-16(21-9)24-23-15(25)13-8-12(13)11-5-3-4-6-14(11)17(18,19)20/h3-7,12-13H,8H2,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyRHZWIQKELBXCDD-UHFFFAOYSA-N
XLogP3.36
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-(4,6-dimethylpyrimidin-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide?
The IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide (CID 71899915) is N'-(4,6-dimethylpyrimidin-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide.
What is the SMILES notation for N'-(4,6-dimethylpyrimidin-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide?
The canonical SMILES for N'-(4,6-dimethylpyrimidin-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide is Cc1cc(C)nc(NNC(=O)C2CC2c2ccccc2C(F)(F)F)n1.
What is the InChIKey of N'-(4,6-dimethylpyrimidin-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide?
The InChIKey is RHZWIQKELBXCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O/c1-9-7-10(2)22-16(21-9)24-23-15(25)13-8-12(13)11-5-3-4-6-14(11)17(18,19)20/h3-7,12-13H,8H2,1-2H3,(H,23,25)(H,21,22,24).
What are the key properties of N'-(4,6-dimethylpyrimidin-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide?
N'-(4,6-dimethylpyrimidin-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide has a molecular weight of 350.34 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,6-dimethylpyrimidin-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide is sourced from PubChem (CID 71899915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).