(5-amino-1-methylpyrazol-3-yl)-(1,3-dihydroisoindol-2-yl)methanone

C13H14N4O — CID 117215254

IUPAC(5-amino-1-methylpyrazol-3-yl)-(1,3-dihydroisoindol-2-yl)methanone
SMILESCn1nc(C(=O)N2Cc3ccccc3C2)cc1N
InChIInChI=1S/C13H14N4O/c1-16-12(14)6-11(15-16)13(18)17-7-9-4-2-3-5-10(9)8-17/h2-6H,7-8,14H2,1H3
InChIKeyDGKSLJOQKOILOB-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.16
Rot. Bonds1

About (5-amino-1-methylpyrazol-3-yl)-(1,3-dihydroisoindol-2-yl)methanone

(5-amino-1-methylpyrazol-3-yl)-(1,3-dihydroisoindol-2-yl)methanone (PubChem CID 117215254) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is (5-amino-1-methylpyrazol-3-yl)-(1,3-dihydroisoindol-2-yl)methanone.

Molecular Properties

Compound Name(5-amino-1-methylpyrazol-3-yl)-(1,3-dihydroisoindol-2-yl)methanone
PubChem CID117215254
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name(5-amino-1-methylpyrazol-3-yl)-(1,3-dihydroisoindol-2-yl)methanone
SMILESCn1nc(C(=O)N2Cc3ccccc3C2)cc1N
InChIInChI=1S/C13H14N4O/c1-16-12(14)6-11(15-16)13(18)17-7-9-4-2-3-5-10(9)8-17/h2-6H,7-8,14H2,1H3
InChIKeyDGKSLJOQKOILOB-UHFFFAOYSA-N
XLogP1.16
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-amino-1-methylpyrazol-3-yl)-(1,3-dihydroisoindol-2-yl)methanone?
The IUPAC name of (5-amino-1-methylpyrazol-3-yl)-(1,3-dihydroisoindol-2-yl)methanone (CID 117215254) is (5-amino-1-methylpyrazol-3-yl)-(1,3-dihydroisoindol-2-yl)methanone.
What is the SMILES notation for (5-amino-1-methylpyrazol-3-yl)-(1,3-dihydroisoindol-2-yl)methanone?
The canonical SMILES for (5-amino-1-methylpyrazol-3-yl)-(1,3-dihydroisoindol-2-yl)methanone is Cn1nc(C(=O)N2Cc3ccccc3C2)cc1N.
What is the InChIKey of (5-amino-1-methylpyrazol-3-yl)-(1,3-dihydroisoindol-2-yl)methanone?
The InChIKey is DGKSLJOQKOILOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-16-12(14)6-11(15-16)13(18)17-7-9-4-2-3-5-10(9)8-17/h2-6H,7-8,14H2,1H3.
What are the key properties of (5-amino-1-methylpyrazol-3-yl)-(1,3-dihydroisoindol-2-yl)methanone?
(5-amino-1-methylpyrazol-3-yl)-(1,3-dihydroisoindol-2-yl)methanone has a molecular weight of 242.28 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1-methylpyrazol-3-yl)-(1,3-dihydroisoindol-2-yl)methanone is sourced from PubChem (CID 117215254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).