N-methyl-1-(3-methyl-1-phenyl-5-prop-2-enylsulfanylpyrazol-4-yl)methanimine oxide

C15H17N3OS — CID 10266077

IUPACN-methyl-1-(3-methyl-1-phenyl-5-prop-2-enylsulfanylpyrazol-4-yl)methanimine oxide
SMILESC=CCSc1c(/C=[N+](\C)[O-])c(C)nn1-c1ccccc1
InChIInChI=1S/C15H17N3OS/c1-4-10-20-15-14(11-17(3)19)12(2)16-18(15)13-8-6-5-7-9-13/h4-9,11H,1,10H2,2-3H3/b17-11+
InChIKeyJGLGKBQSWGWKQW-GZTJUZNOSA-N
MW287.39 g/mol
LogP3.02
Rot. Bonds5

About N-methyl-1-(3-methyl-1-phenyl-5-prop-2-enylsulfanylpyrazol-4-yl)methanimine oxide

N-methyl-1-(3-methyl-1-phenyl-5-prop-2-enylsulfanylpyrazol-4-yl)methanimine oxide (PubChem CID 10266077) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is N-methyl-1-(3-methyl-1-phenyl-5-prop-2-enylsulfanylpyrazol-4-yl)methanimine oxide.

Molecular Properties

Compound NameN-methyl-1-(3-methyl-1-phenyl-5-prop-2-enylsulfanylpyrazol-4-yl)methanimine oxide
PubChem CID10266077
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC NameN-methyl-1-(3-methyl-1-phenyl-5-prop-2-enylsulfanylpyrazol-4-yl)methanimine oxide
SMILESC=CCSc1c(/C=[N+](\C)[O-])c(C)nn1-c1ccccc1
InChIInChI=1S/C15H17N3OS/c1-4-10-20-15-14(11-17(3)19)12(2)16-18(15)13-8-6-5-7-9-13/h4-9,11H,1,10H2,2-3H3/b17-11+
InChIKeyJGLGKBQSWGWKQW-GZTJUZNOSA-N
XLogP3.02
TPSA43.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-methyl-1-(3-methyl-1-phenyl-5-prop-2-enylsulfanylpyrazol-4-yl)methanimine oxide 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-[(4-tert-butylphenyl)methylsulfanyl]-3-methyl-1-phenylpyrazole-4-carbaldehyde
CID 90916998
3-methyl-1-phenyl-5-phenylsulfanylpyrazole-4-carbaldehyde
CID 20983399
3,5-dimethyl-1-phenyl-N-prop-2-enylpyrazole-4-sulfonamide
CID 19681810
(5-ethylsulfanyl-3-methyl-1-phenylpyrazol-4-yl)methanol
CID 63814567
3,5-dimethyl-1-phenyl-N,N-bis(prop-2-enyl)pyrazole-4-sulfonamide
CID 19682229
(Z)-3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)prop-2-enenitrile
CID 132966216
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methylmethanimine
CID 67710570
3,5-dimethyl-1-phenyl-4-[(Z)-prop-1-enyl]pyrazole
CID 143867977
(3-methyl-1-phenyl-5-propylsulfanylpyrazol-4-yl)methanol
CID 15252513
2-(3-methyl-5-methylsulfanyl-1-phenylpyrazol-4-yl)ethanamine
CID 63818020
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-en-1-ol
CID 169454458
1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-prop-2-enylthiourea
CID 3660487

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methyl-1-phenyl-5-prop-2-enylsulfanylpyrazol-4-yl)methanimine oxide?
The IUPAC name of N-methyl-1-(3-methyl-1-phenyl-5-prop-2-enylsulfanylpyrazol-4-yl)methanimine oxide (CID 10266077) is N-methyl-1-(3-methyl-1-phenyl-5-prop-2-enylsulfanylpyrazol-4-yl)methanimine oxide.
What is the SMILES notation for N-methyl-1-(3-methyl-1-phenyl-5-prop-2-enylsulfanylpyrazol-4-yl)methanimine oxide?
The canonical SMILES for N-methyl-1-(3-methyl-1-phenyl-5-prop-2-enylsulfanylpyrazol-4-yl)methanimine oxide is C=CCSc1c(/C=[N+](\C)[O-])c(C)nn1-c1ccccc1.
What is the InChIKey of N-methyl-1-(3-methyl-1-phenyl-5-prop-2-enylsulfanylpyrazol-4-yl)methanimine oxide?
The InChIKey is JGLGKBQSWGWKQW-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-4-10-20-15-14(11-17(3)19)12(2)16-18(15)13-8-6-5-7-9-13/h4-9,11H,1,10H2,2-3H3/b17-11+.
What are the key properties of N-methyl-1-(3-methyl-1-phenyl-5-prop-2-enylsulfanylpyrazol-4-yl)methanimine oxide?
N-methyl-1-(3-methyl-1-phenyl-5-prop-2-enylsulfanylpyrazol-4-yl)methanimine oxide has a molecular weight of 287.39 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methyl-1-phenyl-5-prop-2-enylsulfanylpyrazol-4-yl)methanimine oxide is sourced from PubChem (CID 10266077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).