(5-amino-3-methylpyrazol-1-yl)-(2,3-dihydro-1H-inden-2-yl)methanone

C14H15N3O — CID 112524813

IUPAC(5-amino-3-methylpyrazol-1-yl)-(2,3-dihydro-1H-inden-2-yl)methanone
SMILESCc1cc(N)n(C(=O)C2Cc3ccccc3C2)n1
InChIInChI=1S/C14H15N3O/c1-9-6-13(15)17(16-9)14(18)12-7-10-4-2-3-5-11(10)8-12/h2-6,12H,7-8,15H2,1H3
InChIKeyYXPLLMXVSRWOIK-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.83
Rot. Bonds1

About (5-amino-3-methylpyrazol-1-yl)-(2,3-dihydro-1H-inden-2-yl)methanone

(5-amino-3-methylpyrazol-1-yl)-(2,3-dihydro-1H-inden-2-yl)methanone (PubChem CID 112524813) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is (5-amino-3-methylpyrazol-1-yl)-(2,3-dihydro-1H-inden-2-yl)methanone.

Molecular Properties

Compound Name(5-amino-3-methylpyrazol-1-yl)-(2,3-dihydro-1H-inden-2-yl)methanone
PubChem CID112524813
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name(5-amino-3-methylpyrazol-1-yl)-(2,3-dihydro-1H-inden-2-yl)methanone
SMILESCc1cc(N)n(C(=O)C2Cc3ccccc3C2)n1
InChIInChI=1S/C14H15N3O/c1-9-6-13(15)17(16-9)14(18)12-7-10-4-2-3-5-11(10)8-12/h2-6,12H,7-8,15H2,1H3
InChIKeyYXPLLMXVSRWOIK-UHFFFAOYSA-N
XLogP1.83
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-amino-3-methylpyrazol-1-yl)-(2-aminophenyl)methanone
CID 110465642
2-(5-amino-3-methylpyrazol-1-yl)-N-(2,3-dihydro-1H-inden-2-yl)acetamide
CID 77091883
1-(5-amino-3-methylpyrazol-1-yl)-2,2-dimethylpropan-1-one
CID 110460709
(4R)-4-(3,5-dimethylpyrazole-1-carbonyl)-1-phenylpyrrolidin-2-one
CID 7449418
2-amino-1-(5-amino-3-methylpyrazol-1-yl)ethanone
CID 83618012
(5-amino-3-methylpyrazol-1-yl)-(4-aminophenyl)methanone
CID 110462579
5-amino-3-methylpyrazole-1-carbothioamide
CID 102476487
(3-aminoindol-1-yl)-(2,3-dihydro-1H-inden-2-yl)methanone
CID 112527022
1-(5-amino-3-methylpyrazol-1-yl)-2-(1-benzofuran-3-yl)ethanone
CID 110463862
(5-amino-3-methylpyrazol-1-yl)-[1-(4-fluorophenyl)cyclopropyl]methanone
CID 110464036
5-amino-N-(4-chlorophenyl)-3-methylpyrazole-1-carboxamide
CID 110463822
2,3-dihydro-1H-inden-2-yl-(4-hydroxypiperidin-1-yl)methanone
CID 112531224

Frequently Asked Questions

What is the IUPAC name of (5-amino-3-methylpyrazol-1-yl)-(2,3-dihydro-1H-inden-2-yl)methanone?
The IUPAC name of (5-amino-3-methylpyrazol-1-yl)-(2,3-dihydro-1H-inden-2-yl)methanone (CID 112524813) is (5-amino-3-methylpyrazol-1-yl)-(2,3-dihydro-1H-inden-2-yl)methanone.
What is the SMILES notation for (5-amino-3-methylpyrazol-1-yl)-(2,3-dihydro-1H-inden-2-yl)methanone?
The canonical SMILES for (5-amino-3-methylpyrazol-1-yl)-(2,3-dihydro-1H-inden-2-yl)methanone is Cc1cc(N)n(C(=O)C2Cc3ccccc3C2)n1.
What is the InChIKey of (5-amino-3-methylpyrazol-1-yl)-(2,3-dihydro-1H-inden-2-yl)methanone?
The InChIKey is YXPLLMXVSRWOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-9-6-13(15)17(16-9)14(18)12-7-10-4-2-3-5-11(10)8-12/h2-6,12H,7-8,15H2,1H3.
What are the key properties of (5-amino-3-methylpyrazol-1-yl)-(2,3-dihydro-1H-inden-2-yl)methanone?
(5-amino-3-methylpyrazol-1-yl)-(2,3-dihydro-1H-inden-2-yl)methanone has a molecular weight of 241.29 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3-methylpyrazol-1-yl)-(2,3-dihydro-1H-inden-2-yl)methanone is sourced from PubChem (CID 112524813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).