(4-amino-3,5-dimethylpyrazol-1-yl)-(1H-indol-4-yl)methanone

C14H14N4O — CID 112525294

IUPAC(4-amino-3,5-dimethylpyrazol-1-yl)-(1H-indol-4-yl)methanone
SMILESCc1nn(C(=O)c2cccc3[nH]ccc23)c(C)c1N
InChIInChI=1S/C14H14N4O/c1-8-13(15)9(2)18(17-8)14(19)11-4-3-5-12-10(11)6-7-16-12/h3-7,16H,15H2,1-2H3
InChIKeyHHDNPNPYKWTREP-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.25
Rot. Bonds1

About (4-amino-3,5-dimethylpyrazol-1-yl)-(1H-indol-4-yl)methanone

(4-amino-3,5-dimethylpyrazol-1-yl)-(1H-indol-4-yl)methanone (PubChem CID 112525294) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is (4-amino-3,5-dimethylpyrazol-1-yl)-(1H-indol-4-yl)methanone.

Molecular Properties

Compound Name(4-amino-3,5-dimethylpyrazol-1-yl)-(1H-indol-4-yl)methanone
PubChem CID112525294
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name(4-amino-3,5-dimethylpyrazol-1-yl)-(1H-indol-4-yl)methanone
SMILESCc1nn(C(=O)c2cccc3[nH]ccc23)c(C)c1N
InChIInChI=1S/C14H14N4O/c1-8-13(15)9(2)18(17-8)14(19)11-4-3-5-12-10(11)6-7-16-12/h3-7,16H,15H2,1-2H3
InChIKeyHHDNPNPYKWTREP-UHFFFAOYSA-N
XLogP2.25
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3,5-dimethylpyrazol-1-yl)-(1H-indol-4-yl)methanone?
The IUPAC name of (4-amino-3,5-dimethylpyrazol-1-yl)-(1H-indol-4-yl)methanone (CID 112525294) is (4-amino-3,5-dimethylpyrazol-1-yl)-(1H-indol-4-yl)methanone.
What is the SMILES notation for (4-amino-3,5-dimethylpyrazol-1-yl)-(1H-indol-4-yl)methanone?
The canonical SMILES for (4-amino-3,5-dimethylpyrazol-1-yl)-(1H-indol-4-yl)methanone is Cc1nn(C(=O)c2cccc3[nH]ccc23)c(C)c1N.
What is the InChIKey of (4-amino-3,5-dimethylpyrazol-1-yl)-(1H-indol-4-yl)methanone?
The InChIKey is HHDNPNPYKWTREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-8-13(15)9(2)18(17-8)14(19)11-4-3-5-12-10(11)6-7-16-12/h3-7,16H,15H2,1-2H3.
What are the key properties of (4-amino-3,5-dimethylpyrazol-1-yl)-(1H-indol-4-yl)methanone?
(4-amino-3,5-dimethylpyrazol-1-yl)-(1H-indol-4-yl)methanone has a molecular weight of 254.29 g/mol, XLogP of 2.25, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,5-dimethylpyrazol-1-yl)-(1H-indol-4-yl)methanone is sourced from PubChem (CID 112525294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).