N-[(6-ethoxy-2-pyridinyl)methyl]-N,1-dimethylpyrazol-4-amine

C13H18N4O — CID 75503263

IUPACN-[(6-ethoxy-2-pyridinyl)methyl]-N,1-dimethylpyrazol-4-amine
SMILESCCOc1cccc(CN(C)c2cnn(C)c2)n1
InChIInChI=1S/C13H18N4O/c1-4-18-13-7-5-6-11(15-13)9-16(2)12-8-14-17(3)10-12/h5-8,10H,4,9H2,1-3H3
InChIKeyVFJBRTCEOKVVBV-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.85
Rot. Bonds5

About N-[(6-ethoxy-2-pyridinyl)methyl]-N,1-dimethylpyrazol-4-amine

N-[(6-ethoxy-2-pyridinyl)methyl]-N,1-dimethylpyrazol-4-amine (PubChem CID 75503263) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[(6-ethoxy-2-pyridinyl)methyl]-N,1-dimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(6-ethoxy-2-pyridinyl)methyl]-N,1-dimethylpyrazol-4-amine
PubChem CID75503263
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-[(6-ethoxy-2-pyridinyl)methyl]-N,1-dimethylpyrazol-4-amine
SMILESCCOc1cccc(CN(C)c2cnn(C)c2)n1
InChIInChI=1S/C13H18N4O/c1-4-18-13-7-5-6-11(15-13)9-16(2)12-8-14-17(3)10-12/h5-8,10H,4,9H2,1-3H3
InChIKeyVFJBRTCEOKVVBV-UHFFFAOYSA-N
XLogP1.85
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-ethoxy-2-pyridinyl)methyl]-N,1-dimethylpyrazol-4-amine?
The IUPAC name of N-[(6-ethoxy-2-pyridinyl)methyl]-N,1-dimethylpyrazol-4-amine (CID 75503263) is N-[(6-ethoxy-2-pyridinyl)methyl]-N,1-dimethylpyrazol-4-amine.
What is the SMILES notation for N-[(6-ethoxy-2-pyridinyl)methyl]-N,1-dimethylpyrazol-4-amine?
The canonical SMILES for N-[(6-ethoxy-2-pyridinyl)methyl]-N,1-dimethylpyrazol-4-amine is CCOc1cccc(CN(C)c2cnn(C)c2)n1.
What is the InChIKey of N-[(6-ethoxy-2-pyridinyl)methyl]-N,1-dimethylpyrazol-4-amine?
The InChIKey is VFJBRTCEOKVVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-4-18-13-7-5-6-11(15-13)9-16(2)12-8-14-17(3)10-12/h5-8,10H,4,9H2,1-3H3.
What are the key properties of N-[(6-ethoxy-2-pyridinyl)methyl]-N,1-dimethylpyrazol-4-amine?
N-[(6-ethoxy-2-pyridinyl)methyl]-N,1-dimethylpyrazol-4-amine has a molecular weight of 246.31 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-ethoxy-2-pyridinyl)methyl]-N,1-dimethylpyrazol-4-amine is sourced from PubChem (CID 75503263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).