[4-(3-methoxypyrazol-1-yl)phenyl]methanamine

C11H13N3O — CID 129139799

IUPAC[4-(3-methoxypyrazol-1-yl)phenyl]methanamine
SMILESCOc1ccn(-c2ccc(CN)cc2)n1
InChIInChI=1S/C11H13N3O/c1-15-11-6-7-14(13-11)10-4-2-9(8-12)3-5-10/h2-7H,8,12H2,1H3
InChIKeyMFODNJKVOKREFG-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.34
Rot. Bonds3

About [4-(3-methoxypyrazol-1-yl)phenyl]methanamine

[4-(3-methoxypyrazol-1-yl)phenyl]methanamine (PubChem CID 129139799) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is [4-(3-methoxypyrazol-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(3-methoxypyrazol-1-yl)phenyl]methanamine
PubChem CID129139799
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name[4-(3-methoxypyrazol-1-yl)phenyl]methanamine
SMILESCOc1ccn(-c2ccc(CN)cc2)n1
InChIInChI=1S/C11H13N3O/c1-15-11-6-7-14(13-11)10-4-2-9(8-12)3-5-10/h2-7H,8,12H2,1H3
InChIKeyMFODNJKVOKREFG-UHFFFAOYSA-N
XLogP1.34
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxypyrazol-1-yl)phenyl]methanamine?
The IUPAC name of [4-(3-methoxypyrazol-1-yl)phenyl]methanamine (CID 129139799) is [4-(3-methoxypyrazol-1-yl)phenyl]methanamine.
What is the SMILES notation for [4-(3-methoxypyrazol-1-yl)phenyl]methanamine?
The canonical SMILES for [4-(3-methoxypyrazol-1-yl)phenyl]methanamine is COc1ccn(-c2ccc(CN)cc2)n1.
What is the InChIKey of [4-(3-methoxypyrazol-1-yl)phenyl]methanamine?
The InChIKey is MFODNJKVOKREFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-15-11-6-7-14(13-11)10-4-2-9(8-12)3-5-10/h2-7H,8,12H2,1H3.
What are the key properties of [4-(3-methoxypyrazol-1-yl)phenyl]methanamine?
[4-(3-methoxypyrazol-1-yl)phenyl]methanamine has a molecular weight of 203.24 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxypyrazol-1-yl)phenyl]methanamine is sourced from PubChem (CID 129139799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).