(5-amino-1H-pyrazol-4-yl)-(3-methoxyphenyl)methanone

C11H11N3O2 — CID 14674015

IUPAC(5-amino-1H-pyrazol-4-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2cn[nH]c2N)c1
InChIInChI=1S/C11H11N3O2/c1-16-8-4-2-3-7(5-8)10(15)9-6-13-14-11(9)12/h2-6H,1H3,(H3,12,13,14)
InChIKeyNEEOJHLBQLWYPF-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.23
Rot. Bonds3

About (5-amino-1H-pyrazol-4-yl)-(3-methoxyphenyl)methanone

(5-amino-1H-pyrazol-4-yl)-(3-methoxyphenyl)methanone (PubChem CID 14674015) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is (5-amino-1H-pyrazol-4-yl)-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(5-amino-1H-pyrazol-4-yl)-(3-methoxyphenyl)methanone
PubChem CID14674015
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name(5-amino-1H-pyrazol-4-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2cn[nH]c2N)c1
InChIInChI=1S/C11H11N3O2/c1-16-8-4-2-3-7(5-8)10(15)9-6-13-14-11(9)12/h2-6H,1H3,(H3,12,13,14)
InChIKeyNEEOJHLBQLWYPF-UHFFFAOYSA-N
XLogP1.23
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-amino-1H-pyrazol-4-yl)-(3-methoxyphenyl)methanone?
The IUPAC name of (5-amino-1H-pyrazol-4-yl)-(3-methoxyphenyl)methanone (CID 14674015) is (5-amino-1H-pyrazol-4-yl)-(3-methoxyphenyl)methanone.
What is the SMILES notation for (5-amino-1H-pyrazol-4-yl)-(3-methoxyphenyl)methanone?
The canonical SMILES for (5-amino-1H-pyrazol-4-yl)-(3-methoxyphenyl)methanone is COc1cccc(C(=O)c2cn[nH]c2N)c1.
What is the InChIKey of (5-amino-1H-pyrazol-4-yl)-(3-methoxyphenyl)methanone?
The InChIKey is NEEOJHLBQLWYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-16-8-4-2-3-7(5-8)10(15)9-6-13-14-11(9)12/h2-6H,1H3,(H3,12,13,14).
What are the key properties of (5-amino-1H-pyrazol-4-yl)-(3-methoxyphenyl)methanone?
(5-amino-1H-pyrazol-4-yl)-(3-methoxyphenyl)methanone has a molecular weight of 217.23 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1H-pyrazol-4-yl)-(3-methoxyphenyl)methanone is sourced from PubChem (CID 14674015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).