1-(2-methoxyethyl)-N-[(5-methyl-2-pyridinyl)methyl]pyrazol-4-amine

C13H18N4O — CID 81312279

IUPAC1-(2-methoxyethyl)-N-[(5-methyl-2-pyridinyl)methyl]pyrazol-4-amine
SMILESCOCCn1cc(NCc2ccc(C)cn2)cn1
InChIInChI=1S/C13H18N4O/c1-11-3-4-12(14-7-11)8-15-13-9-16-17(10-13)5-6-18-2/h3-4,7,9-10,15H,5-6,8H2,1-2H3
InChIKeyAGRFLNBLEKMRAT-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.85
Rot. Bonds6

About 1-(2-methoxyethyl)-N-[(5-methyl-2-pyridinyl)methyl]pyrazol-4-amine

1-(2-methoxyethyl)-N-[(5-methyl-2-pyridinyl)methyl]pyrazol-4-amine (PubChem CID 81312279) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-[(5-methyl-2-pyridinyl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-[(5-methyl-2-pyridinyl)methyl]pyrazol-4-amine
PubChem CID81312279
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1-(2-methoxyethyl)-N-[(5-methyl-2-pyridinyl)methyl]pyrazol-4-amine
SMILESCOCCn1cc(NCc2ccc(C)cn2)cn1
InChIInChI=1S/C13H18N4O/c1-11-3-4-12(14-7-11)8-15-13-9-16-17(10-13)5-6-18-2/h3-4,7,9-10,15H,5-6,8H2,1-2H3
InChIKeyAGRFLNBLEKMRAT-UHFFFAOYSA-N
XLogP1.85
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-[(5-methyl-2-pyridinyl)methyl]pyrazol-4-amine?
The IUPAC name of 1-(2-methoxyethyl)-N-[(5-methyl-2-pyridinyl)methyl]pyrazol-4-amine (CID 81312279) is 1-(2-methoxyethyl)-N-[(5-methyl-2-pyridinyl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-N-[(5-methyl-2-pyridinyl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-(2-methoxyethyl)-N-[(5-methyl-2-pyridinyl)methyl]pyrazol-4-amine is COCCn1cc(NCc2ccc(C)cn2)cn1.
What is the InChIKey of 1-(2-methoxyethyl)-N-[(5-methyl-2-pyridinyl)methyl]pyrazol-4-amine?
The InChIKey is AGRFLNBLEKMRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-11-3-4-12(14-7-11)8-15-13-9-16-17(10-13)5-6-18-2/h3-4,7,9-10,15H,5-6,8H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-N-[(5-methyl-2-pyridinyl)methyl]pyrazol-4-amine?
1-(2-methoxyethyl)-N-[(5-methyl-2-pyridinyl)methyl]pyrazol-4-amine has a molecular weight of 246.31 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-[(5-methyl-2-pyridinyl)methyl]pyrazol-4-amine is sourced from PubChem (CID 81312279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).