(5-amino-1H-pyrazol-4-yl)-(4-methylphenyl)methanone

C11H11N3O — CID 14674004

IUPAC(5-amino-1H-pyrazol-4-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cn[nH]c2N)cc1
InChIInChI=1S/C11H11N3O/c1-7-2-4-8(5-3-7)10(15)9-6-13-14-11(9)12/h2-6H,1H3,(H3,12,13,14)
InChIKeyWOGYPWBCVMSWHF-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.53
Rot. Bonds2

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

(5-amino-1H-pyrazol-4-yl)-(4-methylphenyl)methanone (PubChem CID 14674004) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is (5-amino-1H-pyrazol-4-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(5-amino-1H-pyrazol-4-yl)-(4-methylphenyl)methanone
PubChem CID14674004
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name(5-amino-1H-pyrazol-4-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cn[nH]c2N)cc1
InChIInChI=1S/C11H11N3O/c1-7-2-4-8(5-3-7)10(15)9-6-13-14-11(9)12/h2-6H,1H3,(H3,12,13,14)
InChIKeyWOGYPWBCVMSWHF-UHFFFAOYSA-N
XLogP1.53
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-amino-1H-pyrazol-4-yl)-(4-methylphenyl)methanone?
The IUPAC name of (5-amino-1H-pyrazol-4-yl)-(4-methylphenyl)methanone (CID 14674004) is (5-amino-1H-pyrazol-4-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (5-amino-1H-pyrazol-4-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (5-amino-1H-pyrazol-4-yl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2cn[nH]c2N)cc1.
What is the InChIKey of (5-amino-1H-pyrazol-4-yl)-(4-methylphenyl)methanone?
The InChIKey is WOGYPWBCVMSWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-7-2-4-8(5-3-7)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)-(4-methylphenyl)methanone?
(5-amino-1H-pyrazol-4-yl)-(4-methylphenyl)methanone has a molecular weight of 201.23 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1H-pyrazol-4-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 14674004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).