4-[5-cyclopropyl-4-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]aniline

C19H29N3OSi — CID 169122111

IUPAC4-[5-cyclopropyl-4-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]aniline
SMILESCc1c(-c2ccc(N)cc2)nn(COCC[Si](C)(C)C)c1C1CC1
InChIInChI=1S/C19H29N3OSi/c1-14-18(15-7-9-17(20)10-8-15)21-22(19(14)16-5-6-16)13-23-11-12-24(2,3)4/h7-10,16H,5-6,11-13,20H2,1-4H3
InChIKeyJKOJAVWAGDVSRW-UHFFFAOYSA-N
MW343.55 g/mol
LogP4.63
Rot. Bonds7

About 4-[5-cyclopropyl-4-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]aniline

4-[5-cyclopropyl-4-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]aniline (PubChem CID 169122111) has the molecular formula C19H29N3OSi and a molecular weight of 343.55 g/mol. Its IUPAC name is 4-[5-cyclopropyl-4-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]aniline.

Molecular Properties

Compound Name4-[5-cyclopropyl-4-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]aniline
PubChem CID169122111
Molecular FormulaC19H29N3OSi
Molecular Weight343.55 g/mol
Exact Mass343.21
IUPAC Name4-[5-cyclopropyl-4-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]aniline
SMILESCc1c(-c2ccc(N)cc2)nn(COCC[Si](C)(C)C)c1C1CC1
InChIInChI=1S/C19H29N3OSi/c1-14-18(15-7-9-17(20)10-8-15)21-22(19(14)16-5-6-16)13-23-11-12-24(2,3)4/h7-10,16H,5-6,11-13,20H2,1-4H3
InChIKeyJKOJAVWAGDVSRW-UHFFFAOYSA-N
XLogP4.63
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.55
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4-[5-cyclopropyl-4-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]aniline 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

3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-amine
CID 22494882
1h-Indazol-6-amine,3-(trifluoromethyl)-1-[[2-(trimethylsilyl)ethoxy]methyl]-
CID 59276665
3-Fluoro-4-[3-(2-fluorobut-3-en-2-yl)-1-methylpyrazol-5-yl]aniline
CID 123629485
4-[3,5-Dimethyl-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-pyrazol-4-yl]-3-fluorobenzenamine
CID 150126723
2-[[5-Cyclopropyl-3-(4-fluorophenyl)-4-iodopyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 151267971
2-[[4-Bromo-5-cyclopropyl-3-(4-fluorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 151304514
2-[[4-Bromo-5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 152048916
2-[[5-Cyclopropyl-3-(4-fluoro-3-methylphenyl)-4-iodopyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 153434194
2-[[3-(4-Fluoro-3-methylphenyl)-4-iodo-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 153434228
2-[[5-Cyclopropyl-3-(4-fluorophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 153434242
2-[[4-Bromo-5-cyclopropyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 153434248
2-[[5-Ethyl-3-(4-fluorophenyl)-4-iodopyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 153434252

Frequently Asked Questions

What is the IUPAC name of 4-[5-cyclopropyl-4-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]aniline?
The IUPAC name of 4-[5-cyclopropyl-4-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]aniline (CID 169122111) is 4-[5-cyclopropyl-4-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]aniline.
What is the SMILES notation for 4-[5-cyclopropyl-4-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]aniline?
The canonical SMILES for 4-[5-cyclopropyl-4-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]aniline is Cc1c(-c2ccc(N)cc2)nn(COCC[Si](C)(C)C)c1C1CC1.
What is the InChIKey of 4-[5-cyclopropyl-4-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]aniline?
The InChIKey is JKOJAVWAGDVSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3OSi/c1-14-18(15-7-9-17(20)10-8-15)21-22(19(14)16-5-6-16)13-23-11-12-24(2,3)4/h7-10,16H,5-6,11-13,20H2,1-4H3.
What are the key properties of 4-[5-cyclopropyl-4-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]aniline?
4-[5-cyclopropyl-4-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]aniline has a molecular weight of 343.55 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-cyclopropyl-4-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]aniline is sourced from PubChem (CID 169122111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).