(4-amino-3-methylpyrazol-1-yl)-(1-methylindol-5-yl)methanone

C14H14N4O — CID 112525161

IUPAC(4-amino-3-methylpyrazol-1-yl)-(1-methylindol-5-yl)methanone
SMILESCc1nn(C(=O)c2ccc3c(ccn3C)c2)cc1N
InChIInChI=1S/C14H14N4O/c1-9-12(15)8-18(16-9)14(19)11-3-4-13-10(7-11)5-6-17(13)2/h3-8H,15H2,1-2H3
InChIKeyIQLQLCFDWIQTKE-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.95
Rot. Bonds1

About (4-amino-3-methylpyrazol-1-yl)-(1-methylindol-5-yl)methanone

(4-amino-3-methylpyrazol-1-yl)-(1-methylindol-5-yl)methanone (PubChem CID 112525161) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is (4-amino-3-methylpyrazol-1-yl)-(1-methylindol-5-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-methylpyrazol-1-yl)-(1-methylindol-5-yl)methanone
PubChem CID112525161
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name(4-amino-3-methylpyrazol-1-yl)-(1-methylindol-5-yl)methanone
SMILESCc1nn(C(=O)c2ccc3c(ccn3C)c2)cc1N
InChIInChI=1S/C14H14N4O/c1-9-12(15)8-18(16-9)14(19)11-3-4-13-10(7-11)5-6-17(13)2/h3-8H,15H2,1-2H3
InChIKeyIQLQLCFDWIQTKE-UHFFFAOYSA-N
XLogP1.95
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methylpyrazol-1-yl)-(1-methylindol-5-yl)methanone?
The IUPAC name of (4-amino-3-methylpyrazol-1-yl)-(1-methylindol-5-yl)methanone (CID 112525161) is (4-amino-3-methylpyrazol-1-yl)-(1-methylindol-5-yl)methanone.
What is the SMILES notation for (4-amino-3-methylpyrazol-1-yl)-(1-methylindol-5-yl)methanone?
The canonical SMILES for (4-amino-3-methylpyrazol-1-yl)-(1-methylindol-5-yl)methanone is Cc1nn(C(=O)c2ccc3c(ccn3C)c2)cc1N.
What is the InChIKey of (4-amino-3-methylpyrazol-1-yl)-(1-methylindol-5-yl)methanone?
The InChIKey is IQLQLCFDWIQTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-9-12(15)8-18(16-9)14(19)11-3-4-13-10(7-11)5-6-17(13)2/h3-8H,15H2,1-2H3.
What are the key properties of (4-amino-3-methylpyrazol-1-yl)-(1-methylindol-5-yl)methanone?
(4-amino-3-methylpyrazol-1-yl)-(1-methylindol-5-yl)methanone has a molecular weight of 254.29 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methylpyrazol-1-yl)-(1-methylindol-5-yl)methanone is sourced from PubChem (CID 112525161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).