N-[(2-ethylpyrazol-3-yl)methyl]-3-(2-methoxyethoxy)aniline

C15H21N3O2 — CID 115762009

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-3-(2-methoxyethoxy)aniline
SMILESCCn1nccc1CNc1cccc(OCCOC)c1
InChIInChI=1S/C15H21N3O2/c1-3-18-14(7-8-17-18)12-16-13-5-4-6-15(11-13)20-10-9-19-2/h4-8,11,16H,3,9-10,12H2,1-2H3
InChIKeyMXIINKYLVAVMQT-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.54
Rot. Bonds8

About N-[(2-ethylpyrazol-3-yl)methyl]-3-(2-methoxyethoxy)aniline

N-[(2-ethylpyrazol-3-yl)methyl]-3-(2-methoxyethoxy)aniline (PubChem CID 115762009) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-3-(2-methoxyethoxy)aniline.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-3-(2-methoxyethoxy)aniline
PubChem CID115762009
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-3-(2-methoxyethoxy)aniline
SMILESCCn1nccc1CNc1cccc(OCCOC)c1
InChIInChI=1S/C15H21N3O2/c1-3-18-14(7-8-17-18)12-16-13-5-4-6-15(11-13)20-10-9-19-2/h4-8,11,16H,3,9-10,12H2,1-2H3
InChIKeyMXIINKYLVAVMQT-UHFFFAOYSA-N
XLogP2.54
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-ethylpyrazol-3-yl)methyl]-6-(2-methoxyethoxy)pyridin-3-amine
CID 115762828
N-[(2-methylpyrazol-3-yl)methyl]-3-propoxyaniline
CID 43693776
3-[(2-ethylpyrazol-3-yl)methylamino]phenol
CID 114554894
N-[(2-ethylpyrazol-3-yl)methyl]-3-fluoroaniline
CID 19619281
3-(difluoromethoxy)-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555165
N-(furan-3-ylmethyl)-3-(2-methoxyethoxy)aniline
CID 63204186
3-(2-methoxyethoxy)-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 62957381
3-butan-2-yloxy-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555712
3-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)aniline
CID 54803133
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methoxyethoxy)aniline
CID 60934662
N-[(4-bromophenyl)methyl]-3-(2-methoxyethoxy)aniline
CID 60934782
N-[(5-chlorothiophen-2-yl)methyl]-3-(2-methoxyethoxy)aniline
CID 54864777

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-3-(2-methoxyethoxy)aniline?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-3-(2-methoxyethoxy)aniline (CID 115762009) is N-[(2-ethylpyrazol-3-yl)methyl]-3-(2-methoxyethoxy)aniline.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-3-(2-methoxyethoxy)aniline?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-3-(2-methoxyethoxy)aniline is CCn1nccc1CNc1cccc(OCCOC)c1.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-3-(2-methoxyethoxy)aniline?
The InChIKey is MXIINKYLVAVMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-18-14(7-8-17-18)12-16-13-5-4-6-15(11-13)20-10-9-19-2/h4-8,11,16H,3,9-10,12H2,1-2H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-3-(2-methoxyethoxy)aniline?
N-[(2-ethylpyrazol-3-yl)methyl]-3-(2-methoxyethoxy)aniline has a molecular weight of 275.35 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]-3-(2-methoxyethoxy)aniline is sourced from PubChem (CID 115762009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).