N-hydroxy-2-(3-methylphenyl)-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

C15H17N3O2 — CID 123449709

IUPACN-hydroxy-2-(3-methylphenyl)-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCc1cccc(C2C(C(=O)NO)C2c2cnn(C)c2)c1
InChIInChI=1S/C15H17N3O2/c1-9-4-3-5-10(6-9)12-13(14(12)15(19)17-20)11-7-16-18(2)8-11/h3-8,12-14,20H,1-2H3,(H,17,19)
InChIKeyMFBADHRFGWIOHA-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.73
Rot. Bonds3

About N-hydroxy-2-(3-methylphenyl)-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

N-hydroxy-2-(3-methylphenyl)-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 123449709) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-hydroxy-2-(3-methylphenyl)-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-(3-methylphenyl)-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
PubChem CID123449709
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-hydroxy-2-(3-methylphenyl)-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCc1cccc(C2C(C(=O)NO)C2c2cnn(C)c2)c1
InChIInChI=1S/C15H17N3O2/c1-9-4-3-5-10(6-9)12-13(14(12)15(19)17-20)11-7-16-18(2)8-11/h3-8,12-14,20H,1-2H3,(H,17,19)
InChIKeyMFBADHRFGWIOHA-UHFFFAOYSA-N
XLogP1.73
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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 N-hydroxy-2-(3-methylphenyl)-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-hydroxy-2-(3-methylphenyl)-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 123449709) is N-hydroxy-2-(3-methylphenyl)-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-hydroxy-2-(3-methylphenyl)-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-hydroxy-2-(3-methylphenyl)-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is Cc1cccc(C2C(C(=O)NO)C2c2cnn(C)c2)c1.
What is the InChIKey of N-hydroxy-2-(3-methylphenyl)-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is MFBADHRFGWIOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-9-4-3-5-10(6-9)12-13(14(12)15(19)17-20)11-7-16-18(2)8-11/h3-8,12-14,20H,1-2H3,(H,17,19).
What are the key properties of N-hydroxy-2-(3-methylphenyl)-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
N-hydroxy-2-(3-methylphenyl)-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(3-methylphenyl)-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 123449709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).