N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-ethoxyaniline

C14H19N3O — CID 54865539

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-ethoxyaniline
SMILESCCOc1cccc(NCc2c(C)n[nH]c2C)c1
InChIInChI=1S/C14H19N3O/c1-4-18-13-7-5-6-12(8-13)15-9-14-10(2)16-17-11(14)3/h5-8,15H,4,9H2,1-3H3,(H,16,17)
InChIKeyCDHWQEHGLMKLAT-UHFFFAOYSA-N
MW245.33 g/mol
LogP3.04
Rot. Bonds5

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-ethoxyaniline

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-ethoxyaniline (PubChem CID 54865539) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-ethoxyaniline.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-ethoxyaniline
PubChem CID54865539
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-ethoxyaniline
SMILESCCOc1cccc(NCc2c(C)n[nH]c2C)c1
InChIInChI=1S/C14H19N3O/c1-4-18-13-7-5-6-12(8-13)15-9-14-10(2)16-17-11(14)3/h5-8,15H,4,9H2,1-3H3,(H,16,17)
InChIKeyCDHWQEHGLMKLAT-UHFFFAOYSA-N
XLogP3.04
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-N-(pyridin-4-ylmethyl)aniline
CID 54864999
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4-dimethylaniline
CID 43644839
3-ethoxy-N-[(3-methyl-2-pyridinyl)methyl]aniline
CID 112650113
3-[(3-ethoxyanilino)methyl]aniline
CID 83961381
N-[(3-ethoxyphenyl)methyl]-3-propoxyaniline
CID 54800526
3-ethoxy-N-propylaniline
CID 54800867
3-ethoxy-N-[(4-methoxy-3-methylphenyl)methyl]aniline
CID 60935106
N-[(6-bromo-2-pyridinyl)methyl]-3-ethoxyaniline
CID 112582167
N'-(3,5-dimethylphenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine
CID 54807611
N-tert-butyl-3-ethoxyaniline
CID 58745523
3-ethoxy-N-[(2-methoxyphenyl)methyl]aniline
CID 54800907
3-[(3-ethoxyanilino)methyl]benzene-1,2-diol
CID 61319719

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-ethoxyaniline?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-ethoxyaniline (CID 54865539) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-ethoxyaniline.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-ethoxyaniline?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-ethoxyaniline is CCOc1cccc(NCc2c(C)n[nH]c2C)c1.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-ethoxyaniline?
The InChIKey is CDHWQEHGLMKLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-18-13-7-5-6-12(8-13)15-9-14-10(2)16-17-11(14)3/h5-8,15H,4,9H2,1-3H3,(H,16,17).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-ethoxyaniline?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-ethoxyaniline has a molecular weight of 245.33 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-ethoxyaniline is sourced from PubChem (CID 54865539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).