6-(5-amino-1H-pyrazol-4-yl)-2-cyclopropyl-3H-isoindol-1-one

C14H14N4O — CID 117388985

IUPAC6-(5-amino-1H-pyrazol-4-yl)-2-cyclopropyl-3H-isoindol-1-one
SMILESNc1[nH]ncc1-c1ccc2c(c1)C(=O)N(C1CC1)C2
InChIInChI=1S/C14H14N4O/c15-13-12(6-16-17-13)8-1-2-9-7-18(10-3-4-10)14(19)11(9)5-8/h1-2,5-6,10H,3-4,7H2,(H3,15,16,17)
InChIKeyDYLSJFGSUWMCJB-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.78
Rot. Bonds2

About 6-(5-amino-1H-pyrazol-4-yl)-2-cyclopropyl-3H-isoindol-1-one

6-(5-amino-1H-pyrazol-4-yl)-2-cyclopropyl-3H-isoindol-1-one (PubChem CID 117388985) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 6-(5-amino-1H-pyrazol-4-yl)-2-cyclopropyl-3H-isoindol-1-one.

Molecular Properties

Compound Name6-(5-amino-1H-pyrazol-4-yl)-2-cyclopropyl-3H-isoindol-1-one
PubChem CID117388985
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name6-(5-amino-1H-pyrazol-4-yl)-2-cyclopropyl-3H-isoindol-1-one
SMILESNc1[nH]ncc1-c1ccc2c(c1)C(=O)N(C1CC1)C2
InChIInChI=1S/C14H14N4O/c15-13-12(6-16-17-13)8-1-2-9-7-18(10-3-4-10)14(19)11(9)5-8/h1-2,5-6,10H,3-4,7H2,(H3,15,16,17)
InChIKeyDYLSJFGSUWMCJB-UHFFFAOYSA-N
XLogP1.78
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)-1,2-oxazole-3-carboxylic acid
CID 117457565
2-cyclopropyl-3-oxo-1H-isoindole-5-carbaldehyde
CID 83819356
6-amino-2-(1-methylpiperidin-4-yl)-3H-isoindol-1-one
CID 170046281
4-(4-cyclopropylsulfanyl-3-fluorophenyl)-1H-pyrazol-5-amine
CID 117376095
5-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)-1-methylpyrazole-3-carboxylic acid
CID 117478835
6-(1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one
CID 134492569
6-hydroxy-2-piperidin-4-yl-3H-isoindol-1-one
CID 129014061
2-cyclopropyl-6-pyrrolidin-2-yl-3H-isoindol-1-one
CID 117358132
2-cyclopropyl-6-(piperidin-4-ylmethyl)-3H-isoindol-1-one
CID 117429366
2-cyclopropyl-6-piperidin-3-yl-3H-isoindol-1-one
CID 117394555
2-cyclopropyl-6-piperidin-4-yloxy-3H-isoindol-1-one
CID 129278486
4-(3-bromo-4-cyclopropyloxyphenyl)-1H-pyrazol-5-amine
CID 117474465

Frequently Asked Questions

What is the IUPAC name of 6-(5-amino-1H-pyrazol-4-yl)-2-cyclopropyl-3H-isoindol-1-one?
The IUPAC name of 6-(5-amino-1H-pyrazol-4-yl)-2-cyclopropyl-3H-isoindol-1-one (CID 117388985) is 6-(5-amino-1H-pyrazol-4-yl)-2-cyclopropyl-3H-isoindol-1-one.
What is the SMILES notation for 6-(5-amino-1H-pyrazol-4-yl)-2-cyclopropyl-3H-isoindol-1-one?
The canonical SMILES for 6-(5-amino-1H-pyrazol-4-yl)-2-cyclopropyl-3H-isoindol-1-one is Nc1[nH]ncc1-c1ccc2c(c1)C(=O)N(C1CC1)C2.
What is the InChIKey of 6-(5-amino-1H-pyrazol-4-yl)-2-cyclopropyl-3H-isoindol-1-one?
The InChIKey is DYLSJFGSUWMCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c15-13-12(6-16-17-13)8-1-2-9-7-18(10-3-4-10)14(19)11(9)5-8/h1-2,5-6,10H,3-4,7H2,(H3,15,16,17).
What are the key properties of 6-(5-amino-1H-pyrazol-4-yl)-2-cyclopropyl-3H-isoindol-1-one?
6-(5-amino-1H-pyrazol-4-yl)-2-cyclopropyl-3H-isoindol-1-one has a molecular weight of 254.29 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-1H-pyrazol-4-yl)-2-cyclopropyl-3H-isoindol-1-one is sourced from PubChem (CID 117388985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).