1-(2-ethylpyrazol-3-yl)-N-phenylmethoxymethanamine

C13H17N3O — CID 114556010

IUPAC1-(2-ethylpyrazol-3-yl)-N-phenylmethoxymethanamine
SMILESCCn1nccc1CNOCc1ccccc1
InChIInChI=1S/C13H17N3O/c1-2-16-13(8-9-14-16)10-15-17-11-12-6-4-3-5-7-12/h3-9,15H,2,10-11H2,1H3
InChIKeyIRGOZDBBFRIISC-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.12
Rot. Bonds6

About 1-(2-ethylpyrazol-3-yl)-N-phenylmethoxymethanamine

1-(2-ethylpyrazol-3-yl)-N-phenylmethoxymethanamine (PubChem CID 114556010) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(2-ethylpyrazol-3-yl)-N-phenylmethoxymethanamine.

Molecular Properties

Compound Name1-(2-ethylpyrazol-3-yl)-N-phenylmethoxymethanamine
PubChem CID114556010
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-(2-ethylpyrazol-3-yl)-N-phenylmethoxymethanamine
SMILESCCn1nccc1CNOCc1ccccc1
InChIInChI=1S/C13H17N3O/c1-2-16-13(8-9-14-16)10-15-17-11-12-6-4-3-5-7-12/h3-9,15H,2,10-11H2,1H3
InChIKeyIRGOZDBBFRIISC-UHFFFAOYSA-N
XLogP2.12
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-ethylpyrazol-3-yl)methyl]-2-phenylacetamide
CID 19294481
1-(4-ethylphenyl)-N-phenylmethoxymethanamine
CID 64974535
1-(5-ethylfuran-2-yl)-N-phenylmethoxymethanamine
CID 82709697
N-phenylmethoxy-1-(1-propylpyrazol-4-yl)methanamine
CID 103571612
[3-[[(2-ethylpyrazol-3-yl)methylamino]methyl]phenyl]methanol
CID 113334884
N-(2-methylpropoxy)-1-(2-propylpyrazol-3-yl)methanamine
CID 114556013
1-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-[(2-ethylpyrazol-3-yl)methyl]thiourea
CID 19326966
1-(2-ethylpyrazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 19625523
N-[(2-ethylpyrazol-3-yl)methyl]-2-methylbutan-2-amine
CID 75525238
2-[(2-ethylpyrazol-3-yl)methylamino]-2-phenylacetic acid
CID 114555699
N-[(2-ethylpyrazol-3-yl)methyl]-2-methylpyridin-3-amine
CID 115762824
(2R)-N-[(2-ethylpyrazol-3-yl)methyl]-3-methylbutan-2-amine
CID 97358257

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrazol-3-yl)-N-phenylmethoxymethanamine?
The IUPAC name of 1-(2-ethylpyrazol-3-yl)-N-phenylmethoxymethanamine (CID 114556010) is 1-(2-ethylpyrazol-3-yl)-N-phenylmethoxymethanamine.
What is the SMILES notation for 1-(2-ethylpyrazol-3-yl)-N-phenylmethoxymethanamine?
The canonical SMILES for 1-(2-ethylpyrazol-3-yl)-N-phenylmethoxymethanamine is CCn1nccc1CNOCc1ccccc1.
What is the InChIKey of 1-(2-ethylpyrazol-3-yl)-N-phenylmethoxymethanamine?
The InChIKey is IRGOZDBBFRIISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-2-16-13(8-9-14-16)10-15-17-11-12-6-4-3-5-7-12/h3-9,15H,2,10-11H2,1H3.
What are the key properties of 1-(2-ethylpyrazol-3-yl)-N-phenylmethoxymethanamine?
1-(2-ethylpyrazol-3-yl)-N-phenylmethoxymethanamine has a molecular weight of 231.30 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrazol-3-yl)-N-phenylmethoxymethanamine is sourced from PubChem (CID 114556010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).