2-[3,5-dimethyl-4-[[3-(3-methylbutoxy)anilino]methyl]pyrazol-1-yl]ethanol

C19H29N3O2 — CID 110907633

IUPAC2-[3,5-dimethyl-4-[[3-(3-methylbutoxy)anilino]methyl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNc1cccc(OCCC(C)C)c1
InChIInChI=1S/C19H29N3O2/c1-14(2)8-11-24-18-7-5-6-17(12-18)20-13-19-15(3)21-22(9-10-23)16(19)4/h5-7,12,14,20,23H,8-11,13H2,1-4H3
InChIKeyFUQYIZJWCXKEAD-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.53
Rot. Bonds9

About 2-[3,5-dimethyl-4-[[3-(3-methylbutoxy)anilino]methyl]pyrazol-1-yl]ethanol

2-[3,5-dimethyl-4-[[3-(3-methylbutoxy)anilino]methyl]pyrazol-1-yl]ethanol (PubChem CID 110907633) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-[[3-(3-methylbutoxy)anilino]methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-[[3-(3-methylbutoxy)anilino]methyl]pyrazol-1-yl]ethanol
PubChem CID110907633
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name2-[3,5-dimethyl-4-[[3-(3-methylbutoxy)anilino]methyl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNc1cccc(OCCC(C)C)c1
InChIInChI=1S/C19H29N3O2/c1-14(2)8-11-24-18-7-5-6-17(12-18)20-13-19-15(3)21-22(9-10-23)16(19)4/h5-7,12,14,20,23H,8-11,13H2,1-4H3
InChIKeyFUQYIZJWCXKEAD-UHFFFAOYSA-N
XLogP3.53
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3,5-dimethyl-4-[(3-prop-2-enoxyanilino)methyl]pyrazol-1-yl]ethanol
CID 110906136
2-[4-[[3-(difluoromethoxy)anilino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 110905755
3-(2-methoxyethoxy)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 60935772
N-[(4-fluorophenyl)methyl]-3-(3-methylbutoxy)aniline
CID 54800545
2-[3,5-dimethyl-4-[[(6-methyl-2-pyridinyl)amino]methyl]pyrazol-1-yl]ethanol
CID 110905729
N-[(2-chlorophenyl)methyl]-3-(3-methylbutoxy)aniline
CID 54800547
2-[3,5-dimethyl-4-[[(3-methyl-2-pyridinyl)amino]methyl]pyrazol-1-yl]ethanol
CID 110905689
2-[4-[(4-cyclopentyloxyanilino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 110905762
N-hexyl-3-(3-methylbutoxy)aniline
CID 54800922
3-(3-methylbutoxy)-N-[[2-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54800929
2-[3,5-dimethyl-4-[(4-pyrazol-1-ylanilino)methyl]pyrazol-1-yl]ethanol
CID 110905750
N-(3-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54824740

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-4-[[3-(3-methylbutoxy)anilino]methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3,5-dimethyl-4-[[3-(3-methylbutoxy)anilino]methyl]pyrazol-1-yl]ethanol (CID 110907633) is 2-[3,5-dimethyl-4-[[3-(3-methylbutoxy)anilino]methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3,5-dimethyl-4-[[3-(3-methylbutoxy)anilino]methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3,5-dimethyl-4-[[3-(3-methylbutoxy)anilino]methyl]pyrazol-1-yl]ethanol is Cc1nn(CCO)c(C)c1CNc1cccc(OCCC(C)C)c1.
What is the InChIKey of 2-[3,5-dimethyl-4-[[3-(3-methylbutoxy)anilino]methyl]pyrazol-1-yl]ethanol?
The InChIKey is FUQYIZJWCXKEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-14(2)8-11-24-18-7-5-6-17(12-18)20-13-19-15(3)21-22(9-10-23)16(19)4/h5-7,12,14,20,23H,8-11,13H2,1-4H3.
What are the key properties of 2-[3,5-dimethyl-4-[[3-(3-methylbutoxy)anilino]methyl]pyrazol-1-yl]ethanol?
2-[3,5-dimethyl-4-[[3-(3-methylbutoxy)anilino]methyl]pyrazol-1-yl]ethanol has a molecular weight of 331.46 g/mol, XLogP of 3.53, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-4-[[3-(3-methylbutoxy)anilino]methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 110907633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).