5-(4-fluoro-1-methylindol-2-yl)-1H-pyrazol-4-amine

C12H11FN4 — CID 115004731

IUPAC5-(4-fluoro-1-methylindol-2-yl)-1H-pyrazol-4-amine
SMILESCn1c(-c2[nH]ncc2N)cc2c(F)cccc21
InChIInChI=1S/C12H11FN4/c1-17-10-4-2-3-8(13)7(10)5-11(17)12-9(14)6-15-16-12/h2-6H,14H2,1H3,(H,15,16)
InChIKeyXMNNOZFBRPNVPU-UHFFFAOYSA-N
MW230.25 g/mol
LogP2.29
Rot. Bonds1

About 5-(4-fluoro-1-methylindol-2-yl)-1H-pyrazol-4-amine

5-(4-fluoro-1-methylindol-2-yl)-1H-pyrazol-4-amine (PubChem CID 115004731) has the molecular formula C12H11FN4 and a molecular weight of 230.25 g/mol. Its IUPAC name is 5-(4-fluoro-1-methylindol-2-yl)-1H-pyrazol-4-amine.

Molecular Properties

Compound Name5-(4-fluoro-1-methylindol-2-yl)-1H-pyrazol-4-amine
PubChem CID115004731
Molecular FormulaC12H11FN4
Molecular Weight230.25 g/mol
Exact Mass230.10
IUPAC Name5-(4-fluoro-1-methylindol-2-yl)-1H-pyrazol-4-amine
SMILESCn1c(-c2[nH]ncc2N)cc2c(F)cccc21
InChIInChI=1S/C12H11FN4/c1-17-10-4-2-3-8(13)7(10)5-11(17)12-9(14)6-15-16-12/h2-6H,14H2,1H3,(H,15,16)
InChIKeyXMNNOZFBRPNVPU-UHFFFAOYSA-N
XLogP2.29
TPSA59.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-amino-1H-pyrazol-5-yl)-1-methylindol-4-ol
CID 137016984
5-(1-methylindol-2-yl)-1H-pyrazol-4-amine
CID 115109269
5-(4-fluoro-1-methylindol-2-yl)-1,2-oxazol-4-amine
CID 82390701
3-(4-fluoro-1-methylindol-2-yl)-1-methylpyrazol-5-amine
CID 115107883
5-(4-fluoro-1H-indol-2-yl)-1H-pyrazol-4-amine
CID 137016959
5-[1,2-dimethyl-5-(trifluoromethyl)indol-3-yl]-1H-pyrazol-4-amine
CID 115108997
5-(4-bromo-1,2-dimethylindol-3-yl)-1H-pyrazol-4-amine
CID 115109196
5-(4-fluoro-1H-indol-3-yl)-1H-pyrazol-4-amine
CID 136986362
5-(4-fluoro-1-methylindol-2-yl)-1-methylpyrazole-3-carboxylic acid
CID 115108105
ethyl 4-fluoro-1-methylindole-2-carboxylate
CID 171397337
5-(1,4-dimethylindol-2-yl)-1H-pyrazol-3-amine
CID 115107860
2-(4-fluoro-1-methylindol-2-yl)acetaldehyde
CID 117194443

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-1-methylindol-2-yl)-1H-pyrazol-4-amine?
The IUPAC name of 5-(4-fluoro-1-methylindol-2-yl)-1H-pyrazol-4-amine (CID 115004731) is 5-(4-fluoro-1-methylindol-2-yl)-1H-pyrazol-4-amine.
What is the SMILES notation for 5-(4-fluoro-1-methylindol-2-yl)-1H-pyrazol-4-amine?
The canonical SMILES for 5-(4-fluoro-1-methylindol-2-yl)-1H-pyrazol-4-amine is Cn1c(-c2[nH]ncc2N)cc2c(F)cccc21.
What is the InChIKey of 5-(4-fluoro-1-methylindol-2-yl)-1H-pyrazol-4-amine?
The InChIKey is XMNNOZFBRPNVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4/c1-17-10-4-2-3-8(13)7(10)5-11(17)12-9(14)6-15-16-12/h2-6H,14H2,1H3,(H,15,16).
What are the key properties of 5-(4-fluoro-1-methylindol-2-yl)-1H-pyrazol-4-amine?
5-(4-fluoro-1-methylindol-2-yl)-1H-pyrazol-4-amine has a molecular weight of 230.25 g/mol, XLogP of 2.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-1-methylindol-2-yl)-1H-pyrazol-4-amine is sourced from PubChem (CID 115004731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).