N-[5-(3-chlorophenyl)-2,4-dimethyl-3H-pyrazol-4-yl]hydroxylamine

C11H14ClN3O — CID 118538467

IUPACN-[5-(3-chlorophenyl)-2,4-dimethyl-3H-pyrazol-4-yl]hydroxylamine
SMILESCN1CC(C)(NO)C(c2cccc(Cl)c2)=N1
InChIInChI=1S/C11H14ClN3O/c1-11(14-16)7-15(2)13-10(11)8-4-3-5-9(12)6-8/h3-6,14,16H,7H2,1-2H3
InChIKeyDRHYDPCSVOANEX-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.73
Rot. Bonds2

About N-[5-(3-chlorophenyl)-2,4-dimethyl-3H-pyrazol-4-yl]hydroxylamine

N-[5-(3-chlorophenyl)-2,4-dimethyl-3H-pyrazol-4-yl]hydroxylamine (PubChem CID 118538467) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is N-[5-(3-chlorophenyl)-2,4-dimethyl-3H-pyrazol-4-yl]hydroxylamine.

Molecular Properties

Compound NameN-[5-(3-chlorophenyl)-2,4-dimethyl-3H-pyrazol-4-yl]hydroxylamine
PubChem CID118538467
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC NameN-[5-(3-chlorophenyl)-2,4-dimethyl-3H-pyrazol-4-yl]hydroxylamine
SMILESCN1CC(C)(NO)C(c2cccc(Cl)c2)=N1
InChIInChI=1S/C11H14ClN3O/c1-11(14-16)7-15(2)13-10(11)8-4-3-5-9(12)6-8/h3-6,14,16H,7H2,1-2H3
InChIKeyDRHYDPCSVOANEX-UHFFFAOYSA-N
XLogP1.73
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.73
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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Related Compounds

5-[4-[4-(3-chlorophenyl)phenyl]phenyl]-6-methyl-4,6-diazaspiro[2.4]hept-4-en-7-one
CID 144586629
7-(3-chlorophenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine
CID 67380705
(3S)-2'-amino-5-(3-chlorophenyl)-3'-methylspiro[1,2-dihydroindene-3,6'-5H-pyrimidine]-4'-one
CID 59262559
4-(3-chlorophenyl)-2-methylaniline
CID 23005189
methyl 2-[2-(3-chloroanilino)-2-oxoethyl]-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylate
CID 139656261
5-(3-chlorophenyl)-3-ethyl-1,2-oxazole
CID 143435495
2-chloro-5-(3-chlorophenyl)-1-methylimidazole
CID 117259913
N-(3-chlorophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide
CID 107163743
2-[5-(3-chlorophenyl)-2-pyridinyl]-1,5,5-trimethylpyrazolidin-3-one
CID 70936653
3-(3-chlorophenyl)-4-methyl-1,2,4-triazole
CID 79002375
3-(3-chlorophenyl)-1,4-dimethyl-1,2,4-triazol-4-ium
CID 134121284
5-bromo-3-(3-chlorophenyl)-1-methylpyrazole
CID 84713065

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-chlorophenyl)-2,4-dimethyl-3H-pyrazol-4-yl]hydroxylamine?
The IUPAC name of N-[5-(3-chlorophenyl)-2,4-dimethyl-3H-pyrazol-4-yl]hydroxylamine (CID 118538467) is N-[5-(3-chlorophenyl)-2,4-dimethyl-3H-pyrazol-4-yl]hydroxylamine.
What is the SMILES notation for N-[5-(3-chlorophenyl)-2,4-dimethyl-3H-pyrazol-4-yl]hydroxylamine?
The canonical SMILES for N-[5-(3-chlorophenyl)-2,4-dimethyl-3H-pyrazol-4-yl]hydroxylamine is CN1CC(C)(NO)C(c2cccc(Cl)c2)=N1.
What is the InChIKey of N-[5-(3-chlorophenyl)-2,4-dimethyl-3H-pyrazol-4-yl]hydroxylamine?
The InChIKey is DRHYDPCSVOANEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c1-11(14-16)7-15(2)13-10(11)8-4-3-5-9(12)6-8/h3-6,14,16H,7H2,1-2H3.
What are the key properties of N-[5-(3-chlorophenyl)-2,4-dimethyl-3H-pyrazol-4-yl]hydroxylamine?
N-[5-(3-chlorophenyl)-2,4-dimethyl-3H-pyrazol-4-yl]hydroxylamine has a molecular weight of 239.71 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-chlorophenyl)-2,4-dimethyl-3H-pyrazol-4-yl]hydroxylamine is sourced from PubChem (CID 118538467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).