N-methyl-4-(2-pyrazol-1-ylethoxy)aniline

C12H15N3O — CID 39205104

IUPACN-methyl-4-(2-pyrazol-1-ylethoxy)aniline
SMILESCNc1ccc(OCCn2cccn2)cc1
InChIInChI=1S/C12H15N3O/c1-13-11-3-5-12(6-4-11)16-10-9-15-8-2-7-14-15/h2-8,13H,9-10H2,1H3
InChIKeyFYEIHHOHSKZTMH-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.00
Rot. Bonds5

About N-methyl-4-(2-pyrazol-1-ylethoxy)aniline

N-methyl-4-(2-pyrazol-1-ylethoxy)aniline (PubChem CID 39205104) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N-methyl-4-(2-pyrazol-1-ylethoxy)aniline.

Molecular Properties

Compound NameN-methyl-4-(2-pyrazol-1-ylethoxy)aniline
PubChem CID39205104
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN-methyl-4-(2-pyrazol-1-ylethoxy)aniline
SMILESCNc1ccc(OCCn2cccn2)cc1
InChIInChI=1S/C12H15N3O/c1-13-11-3-5-12(6-4-11)16-10-9-15-8-2-7-14-15/h2-8,13H,9-10H2,1H3
InChIKeyFYEIHHOHSKZTMH-UHFFFAOYSA-N
XLogP2.00
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-bromophenoxy)ethyl]pyrazole
CID 46739423
2-methyl-N-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 62448293
2-methyl-N-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine
CID 62448294
3-(2-pyrazol-1-ylethoxy)pyridine
CID 112558686
4-[4-(2-pyrazol-1-ylethoxy)phenyl]butan-2-amine
CID 61491560
1-(3-phenoxypropyl)pyrazole
CID 55028379
[5-(2-pyrazol-1-ylethoxy)-2-pyridinyl]methanol
CID 79800375
4-[4-(2-pyrazol-1-ylethoxy)phenyl]but-3-yn-1-ol
CID 61494796
N-[[3-(2-pyrazol-1-ylethoxy)phenyl]methyl]ethanamine
CID 54962036
2-methyl-N-[[5-(2-pyrazol-1-ylethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79793929
4-hexoxy-N-methylaniline
CID 54803445
N-[[3-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine
CID 61491603

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-pyrazol-1-ylethoxy)aniline?
The IUPAC name of N-methyl-4-(2-pyrazol-1-ylethoxy)aniline (CID 39205104) is N-methyl-4-(2-pyrazol-1-ylethoxy)aniline.
What is the SMILES notation for N-methyl-4-(2-pyrazol-1-ylethoxy)aniline?
The canonical SMILES for N-methyl-4-(2-pyrazol-1-ylethoxy)aniline is CNc1ccc(OCCn2cccn2)cc1.
What is the InChIKey of N-methyl-4-(2-pyrazol-1-ylethoxy)aniline?
The InChIKey is FYEIHHOHSKZTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-13-11-3-5-12(6-4-11)16-10-9-15-8-2-7-14-15/h2-8,13H,9-10H2,1H3.
What are the key properties of N-methyl-4-(2-pyrazol-1-ylethoxy)aniline?
N-methyl-4-(2-pyrazol-1-ylethoxy)aniline has a molecular weight of 217.27 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-pyrazol-1-ylethoxy)aniline is sourced from PubChem (CID 39205104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).