N-[(1-ethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)pyrazol-3-amine

C12H19N5O — CID 71921295

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)pyrazol-3-amine
SMILESCCn1cc(CNc2ccn(CCOC)n2)cn1
InChIInChI=1S/C12H19N5O/c1-3-16-10-11(9-14-16)8-13-12-4-5-17(15-12)6-7-18-2/h4-5,9-10H,3,6-8H2,1-2H3,(H,13,15)
InChIKeyZESWLYZLFTXQCC-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.36
Rot. Bonds7

About N-[(1-ethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)pyrazol-3-amine

N-[(1-ethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)pyrazol-3-amine (PubChem CID 71921295) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)pyrazol-3-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)pyrazol-3-amine
PubChem CID71921295
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)pyrazol-3-amine
SMILESCCn1cc(CNc2ccn(CCOC)n2)cn1
InChIInChI=1S/C12H19N5O/c1-3-16-10-11(9-14-16)8-13-12-4-5-17(15-12)6-7-18-2/h4-5,9-10H,3,6-8H2,1-2H3,(H,13,15)
InChIKeyZESWLYZLFTXQCC-UHFFFAOYSA-N
XLogP1.36
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)pyrazol-3-amine?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)pyrazol-3-amine (CID 71921295) is N-[(1-ethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)pyrazol-3-amine.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)pyrazol-3-amine?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)pyrazol-3-amine is CCn1cc(CNc2ccn(CCOC)n2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)pyrazol-3-amine?
The InChIKey is ZESWLYZLFTXQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-3-16-10-11(9-14-16)8-13-12-4-5-17(15-12)6-7-18-2/h4-5,9-10H,3,6-8H2,1-2H3,(H,13,15).
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)pyrazol-3-amine?
N-[(1-ethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)pyrazol-3-amine has a molecular weight of 249.32 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)pyrazol-3-amine is sourced from PubChem (CID 71921295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).