N'-hydroxy-1,3-dimethyl-5-[methyl-[(3-methylphenyl)methyl]amino]pyrazole-4-carboximidamide

C15H21N5O — CID 76951971

IUPACN'-hydroxy-1,3-dimethyl-5-[methyl-[(3-methylphenyl)methyl]amino]pyrazole-4-carboximidamide
SMILESCc1cccc(CN(C)c2c(C(N)=NO)c(C)nn2C)c1
InChIInChI=1S/C15H21N5O/c1-10-6-5-7-12(8-10)9-19(3)15-13(14(16)18-21)11(2)17-20(15)4/h5-8,21H,9H2,1-4H3,(H2,16,18)
InChIKeyUTTJENAEVYOCFR-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.77
Rot. Bonds4

About N'-hydroxy-1,3-dimethyl-5-[methyl-[(3-methylphenyl)methyl]amino]pyrazole-4-carboximidamide

N'-hydroxy-1,3-dimethyl-5-[methyl-[(3-methylphenyl)methyl]amino]pyrazole-4-carboximidamide (PubChem CID 76951971) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N'-hydroxy-1,3-dimethyl-5-[methyl-[(3-methylphenyl)methyl]amino]pyrazole-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1,3-dimethyl-5-[methyl-[(3-methylphenyl)methyl]amino]pyrazole-4-carboximidamide
PubChem CID76951971
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN'-hydroxy-1,3-dimethyl-5-[methyl-[(3-methylphenyl)methyl]amino]pyrazole-4-carboximidamide
SMILESCc1cccc(CN(C)c2c(C(N)=NO)c(C)nn2C)c1
InChIInChI=1S/C15H21N5O/c1-10-6-5-7-12(8-10)9-19(3)15-13(14(16)18-21)11(2)17-20(15)4/h5-8,21H,9H2,1-4H3,(H2,16,18)
InChIKeyUTTJENAEVYOCFR-UHFFFAOYSA-N
XLogP1.77
TPSA79.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-hydroxy-1,3-dimethyl-5-[methyl-[(3-methylphenyl)methyl]amino]pyrazole-4-carboximidamide with MolForge

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

Launch Full Analysis

Related Compounds

5-[benzyl(methyl)amino]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 76952062
N'-hydroxy-1,3-dimethyl-5-[methyl(thiophen-3-ylmethyl)amino]pyrazole-4-carboximidamide
CID 76952064
5-[3-(dimethylamino)propyl-methylamino]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 76951980
4-bromo-N'-hydroxy-2-[methyl-[(3-methylphenyl)methyl]amino]benzenecarboximidamide
CID 114903931
N'-hydroxy-1,3-dimethyl-5-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrazole-4-carboximidamide
CID 76952340
1,3-dimethyl-5-[methyl(thiophen-3-ylmethyl)amino]pyrazole-4-carbothioamide
CID 63758073
5-[bis(2-methylpropyl)amino]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 76951942
5-N-[(3-methoxyphenyl)methyl]-5-N,1,3-trimethylpyrazole-4,5-diamine
CID 61420309
3-[[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 114786461
N'-hydroxy-1,3-dimethyl-5-[methyl-(1-methylpiperidin-4-yl)amino]pyrazole-4-carboximidamide
CID 76952151
5-[(4-fluorophenyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carboximidamide
CID 63752380
3-[[[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]methyl]benzonitrile
CID 62980819

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1,3-dimethyl-5-[methyl-[(3-methylphenyl)methyl]amino]pyrazole-4-carboximidamide?
The IUPAC name of N'-hydroxy-1,3-dimethyl-5-[methyl-[(3-methylphenyl)methyl]amino]pyrazole-4-carboximidamide (CID 76951971) is N'-hydroxy-1,3-dimethyl-5-[methyl-[(3-methylphenyl)methyl]amino]pyrazole-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-1,3-dimethyl-5-[methyl-[(3-methylphenyl)methyl]amino]pyrazole-4-carboximidamide?
The canonical SMILES for N'-hydroxy-1,3-dimethyl-5-[methyl-[(3-methylphenyl)methyl]amino]pyrazole-4-carboximidamide is Cc1cccc(CN(C)c2c(C(N)=NO)c(C)nn2C)c1.
What is the InChIKey of N'-hydroxy-1,3-dimethyl-5-[methyl-[(3-methylphenyl)methyl]amino]pyrazole-4-carboximidamide?
The InChIKey is UTTJENAEVYOCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-10-6-5-7-12(8-10)9-19(3)15-13(14(16)18-21)11(2)17-20(15)4/h5-8,21H,9H2,1-4H3,(H2,16,18).
What are the key properties of N'-hydroxy-1,3-dimethyl-5-[methyl-[(3-methylphenyl)methyl]amino]pyrazole-4-carboximidamide?
N'-hydroxy-1,3-dimethyl-5-[methyl-[(3-methylphenyl)methyl]amino]pyrazole-4-carboximidamide has a molecular weight of 287.37 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1,3-dimethyl-5-[methyl-[(3-methylphenyl)methyl]amino]pyrazole-4-carboximidamide is sourced from PubChem (CID 76951971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).