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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Related Compounds

(1R,2R,3R)-2-(3-chlorophenyl)-N-hydroxy-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 88925008
N-hydroxy-2-(1-methylpyrazol-4-yl)-3-[5-methyl-3-(trifluoromethyl)thiophen-2-yl]cyclopropane-1-carboxamide
CID 72663647
[(1S,2R)-2-(3-methylphenyl)cyclopropyl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 129427757
[2-(3-methylphenyl)pyrrolidin-1-yl]-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanone;hydrochloride
CID 120924039
(3R,4S)-N-[1-(3-methylphenyl)cyclopentyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120930692
N-hydroxy-2-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-3-phenylcyclopropane-1-carboxamide
CID 140643656
(3R,4S)-N-(2-fluoro-4-methylphenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120917667
trans-(1R,2R)-N-(2-acetylphenyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95049899
(3R,4S)-N-(5-methyl-2-phenoxyphenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120935673
2-hydroxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47375361
1-(3-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-one
CID 103023672
(3R,4S)-N-(3,5-dimethylphenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120917484

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).