5-amino-4-(1H-indol-4-yl)-1,2-dihydropyrazol-3-one

C11H10N4O — CID 98773093

IUPAC5-amino-4-(1H-indol-4-yl)-1,2-dihydropyrazol-3-one
SMILESNc1[nH][nH]c(=O)c1-c1cccc2[nH]ccc12
InChIInChI=1S/C11H10N4O/c12-10-9(11(16)15-14-10)7-2-1-3-8-6(7)4-5-13-8/h1-5,13H,(H4,12,14,15,16)
InChIKeyQQNHACRAPDUWBA-UHFFFAOYSA-N
MW214.23 g/mol
LogP1.43
Rot. Bonds1

About 5-amino-4-(1H-indol-4-yl)-1,2-dihydropyrazol-3-one

5-amino-4-(1H-indol-4-yl)-1,2-dihydropyrazol-3-one (PubChem CID 98773093) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 5-amino-4-(1H-indol-4-yl)-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-amino-4-(1H-indol-4-yl)-1,2-dihydropyrazol-3-one
PubChem CID98773093
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name5-amino-4-(1H-indol-4-yl)-1,2-dihydropyrazol-3-one
SMILESNc1[nH][nH]c(=O)c1-c1cccc2[nH]ccc12
InChIInChI=1S/C11H10N4O/c12-10-9(11(16)15-14-10)7-2-1-3-8-6(7)4-5-13-8/h1-5,13H,(H4,12,14,15,16)
InChIKeyQQNHACRAPDUWBA-UHFFFAOYSA-N
XLogP1.43
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 51.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

1H-indol-4-amine;hydrochloride
CID 22461572
5-(1H-indol-4-yl)-1H-pyridin-2-one
CID 122200265
4-(2,3-dichlorophenyl)-1H-indole
CID 172647420
2-(1H-indol-4-yl)-3H-quinazolin-4-one
CID 168550804
4-(1H-indol-4-yl)-1-methylpyrazol-5-amine
CID 117303081
4-(1H-indol-4-yl)pyrimidin-2-amine
CID 24957719
4-amino-2-(1H-indol-4-yl)pyrimidine-5-carboxamide
CID 90082572
4,5-bis(1H-indol-3-yl)-1,2-dihydropyrazol-3-one
CID 127051436
1H-indol-4-ol
CID 102220556
3-fluoro-2-(1H-indol-4-yl)benzonitrile
CID 150927923
2-(1H-indol-4-yl)-5-methoxybenzamide
CID 67929816
4-(4-methylsulfonylphenyl)-1H-indole
CID 50973001

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(1H-indol-4-yl)-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-amino-4-(1H-indol-4-yl)-1,2-dihydropyrazol-3-one (CID 98773093) is 5-amino-4-(1H-indol-4-yl)-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-amino-4-(1H-indol-4-yl)-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-amino-4-(1H-indol-4-yl)-1,2-dihydropyrazol-3-one is Nc1[nH][nH]c(=O)c1-c1cccc2[nH]ccc12.
What is the InChIKey of 5-amino-4-(1H-indol-4-yl)-1,2-dihydropyrazol-3-one?
The InChIKey is QQNHACRAPDUWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c12-10-9(11(16)15-14-10)7-2-1-3-8-6(7)4-5-13-8/h1-5,13H,(H4,12,14,15,16).
What are the key properties of 5-amino-4-(1H-indol-4-yl)-1,2-dihydropyrazol-3-one?
5-amino-4-(1H-indol-4-yl)-1,2-dihydropyrazol-3-one has a molecular weight of 214.23 g/mol, XLogP of 1.43, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(1H-indol-4-yl)-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 98773093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).