4-amino-N-(2,3-dihydro-1H-inden-2-yl)-1-ethylpyrazole-3-carboxamide

C15H18N4O — CID 107843308

IUPAC4-amino-N-(2,3-dihydro-1H-inden-2-yl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)NC2Cc3ccccc3C2)n1
InChIInChI=1S/C15H18N4O/c1-2-19-9-13(16)14(18-19)15(20)17-12-7-10-5-3-4-6-11(10)8-12/h3-6,9,12H,2,7-8,16H2,1H3,(H,17,20)
InChIKeyOOCQKQJFLKLYOF-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.38
Rot. Bonds3

About 4-amino-N-(2,3-dihydro-1H-inden-2-yl)-1-ethylpyrazole-3-carboxamide

4-amino-N-(2,3-dihydro-1H-inden-2-yl)-1-ethylpyrazole-3-carboxamide (PubChem CID 107843308) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-amino-N-(2,3-dihydro-1H-inden-2-yl)-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,3-dihydro-1H-inden-2-yl)-1-ethylpyrazole-3-carboxamide
PubChem CID107843308
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name4-amino-N-(2,3-dihydro-1H-inden-2-yl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)NC2Cc3ccccc3C2)n1
InChIInChI=1S/C15H18N4O/c1-2-19-9-13(16)14(18-19)15(20)17-12-7-10-5-3-4-6-11(10)8-12/h3-6,9,12H,2,7-8,16H2,1H3,(H,17,20)
InChIKeyOOCQKQJFLKLYOF-UHFFFAOYSA-N
XLogP1.38
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,3-dihydro-1H-inden-2-yl)-1-ethylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2,3-dihydro-1H-inden-2-yl)-1-ethylpyrazole-3-carboxamide (CID 107843308) is 4-amino-N-(2,3-dihydro-1H-inden-2-yl)-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2,3-dihydro-1H-inden-2-yl)-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2,3-dihydro-1H-inden-2-yl)-1-ethylpyrazole-3-carboxamide is CCn1cc(N)c(C(=O)NC2Cc3ccccc3C2)n1.
What is the InChIKey of 4-amino-N-(2,3-dihydro-1H-inden-2-yl)-1-ethylpyrazole-3-carboxamide?
The InChIKey is OOCQKQJFLKLYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-2-19-9-13(16)14(18-19)15(20)17-12-7-10-5-3-4-6-11(10)8-12/h3-6,9,12H,2,7-8,16H2,1H3,(H,17,20).
What are the key properties of 4-amino-N-(2,3-dihydro-1H-inden-2-yl)-1-ethylpyrazole-3-carboxamide?
4-amino-N-(2,3-dihydro-1H-inden-2-yl)-1-ethylpyrazole-3-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,3-dihydro-1H-inden-2-yl)-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 107843308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).