2-[4-[4-(methoxymethyl)phenyl]pyrazol-1-yl]ethanamine

C13H17N3O — CID 164607189

IUPAC2-[4-[4-(methoxymethyl)phenyl]pyrazol-1-yl]ethanamine
SMILESCOCc1ccc(-c2cnn(CCN)c2)cc1
InChIInChI=1S/C13H17N3O/c1-17-10-11-2-4-12(5-3-11)13-8-15-16(9-13)7-6-14/h2-5,8-9H,6-7,10,14H2,1H3
InChIKeyQBCCCBFOGZCILP-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.66
Rot. Bonds5

About 2-[4-[4-(methoxymethyl)phenyl]pyrazol-1-yl]ethanamine

2-[4-[4-(methoxymethyl)phenyl]pyrazol-1-yl]ethanamine (PubChem CID 164607189) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[4-[4-(methoxymethyl)phenyl]pyrazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[4-(methoxymethyl)phenyl]pyrazol-1-yl]ethanamine
PubChem CID164607189
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-[4-[4-(methoxymethyl)phenyl]pyrazol-1-yl]ethanamine
SMILESCOCc1ccc(-c2cnn(CCN)c2)cc1
InChIInChI=1S/C13H17N3O/c1-17-10-11-2-4-12(5-3-11)13-8-15-16(9-13)7-6-14/h2-5,8-9H,6-7,10,14H2,1H3
InChIKeyQBCCCBFOGZCILP-UHFFFAOYSA-N
XLogP1.66
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(methoxymethyl)phenyl]pyrazol-1-yl]ethanamine?
The IUPAC name of 2-[4-[4-(methoxymethyl)phenyl]pyrazol-1-yl]ethanamine (CID 164607189) is 2-[4-[4-(methoxymethyl)phenyl]pyrazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-[4-(methoxymethyl)phenyl]pyrazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-[4-(methoxymethyl)phenyl]pyrazol-1-yl]ethanamine is COCc1ccc(-c2cnn(CCN)c2)cc1.
What is the InChIKey of 2-[4-[4-(methoxymethyl)phenyl]pyrazol-1-yl]ethanamine?
The InChIKey is QBCCCBFOGZCILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-17-10-11-2-4-12(5-3-11)13-8-15-16(9-13)7-6-14/h2-5,8-9H,6-7,10,14H2,1H3.
What are the key properties of 2-[4-[4-(methoxymethyl)phenyl]pyrazol-1-yl]ethanamine?
2-[4-[4-(methoxymethyl)phenyl]pyrazol-1-yl]ethanamine has a molecular weight of 231.30 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(methoxymethyl)phenyl]pyrazol-1-yl]ethanamine is sourced from PubChem (CID 164607189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).