3-methoxy-4-phenyl-1H-pyrazol-5-amine

C10H11N3O — CID 138488838

IUPAC3-methoxy-4-phenyl-1H-pyrazol-5-amine
SMILESCOc1n[nH]c(N)c1-c1ccccc1
InChIInChI=1S/C10H11N3O/c1-14-10-8(9(11)12-13-10)7-5-3-2-4-6-7/h2-6H,1H3,(H3,11,12,13)
InChIKeyLHDXDOUJXPCYOX-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.67
Rot. Bonds2

About 3-methoxy-4-phenyl-1H-pyrazol-5-amine

3-methoxy-4-phenyl-1H-pyrazol-5-amine (PubChem CID 138488838) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 3-methoxy-4-phenyl-1H-pyrazol-5-amine.

Molecular Properties

Compound Name3-methoxy-4-phenyl-1H-pyrazol-5-amine
PubChem CID138488838
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name3-methoxy-4-phenyl-1H-pyrazol-5-amine
SMILESCOc1n[nH]c(N)c1-c1ccccc1
InChIInChI=1S/C10H11N3O/c1-14-10-8(9(11)12-13-10)7-5-3-2-4-6-7/h2-6H,1H3,(H3,11,12,13)
InChIKeyLHDXDOUJXPCYOX-UHFFFAOYSA-N
XLogP1.67
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-phenyl-1H-pyrazol-5-amine?
The IUPAC name of 3-methoxy-4-phenyl-1H-pyrazol-5-amine (CID 138488838) is 3-methoxy-4-phenyl-1H-pyrazol-5-amine.
What is the SMILES notation for 3-methoxy-4-phenyl-1H-pyrazol-5-amine?
The canonical SMILES for 3-methoxy-4-phenyl-1H-pyrazol-5-amine is COc1n[nH]c(N)c1-c1ccccc1.
What is the InChIKey of 3-methoxy-4-phenyl-1H-pyrazol-5-amine?
The InChIKey is LHDXDOUJXPCYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-14-10-8(9(11)12-13-10)7-5-3-2-4-6-7/h2-6H,1H3,(H3,11,12,13).
What are the key properties of 3-methoxy-4-phenyl-1H-pyrazol-5-amine?
3-methoxy-4-phenyl-1H-pyrazol-5-amine has a molecular weight of 189.22 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-phenyl-1H-pyrazol-5-amine is sourced from PubChem (CID 138488838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).