(4-amino-3,5-dimethylpyrazol-1-yl)-(1H-indol-6-yl)methanone

C14H14N4O — CID 112525218

IUPAC(4-amino-3,5-dimethylpyrazol-1-yl)-(1H-indol-6-yl)methanone
SMILESCc1nn(C(=O)c2ccc3cc[nH]c3c2)c(C)c1N
InChIInChI=1S/C14H14N4O/c1-8-13(15)9(2)18(17-8)14(19)11-4-3-10-5-6-16-12(10)7-11/h3-7,16H,15H2,1-2H3
InChIKeyNKJZXYMPNHHIOV-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.25
Rot. Bonds1

About (4-amino-3,5-dimethylpyrazol-1-yl)-(1H-indol-6-yl)methanone

(4-amino-3,5-dimethylpyrazol-1-yl)-(1H-indol-6-yl)methanone (PubChem CID 112525218) 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-6-yl)methanone.

Molecular Properties

Compound Name(4-amino-3,5-dimethylpyrazol-1-yl)-(1H-indol-6-yl)methanone
PubChem CID112525218
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name(4-amino-3,5-dimethylpyrazol-1-yl)-(1H-indol-6-yl)methanone
SMILESCc1nn(C(=O)c2ccc3cc[nH]c3c2)c(C)c1N
InChIInChI=1S/C14H14N4O/c1-8-13(15)9(2)18(17-8)14(19)11-4-3-10-5-6-16-12(10)7-11/h3-7,16H,15H2,1-2H3
InChIKeyNKJZXYMPNHHIOV-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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Related Compounds

[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-(1H-indol-6-yl)methanone
CID 112528487
[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]-(1H-indol-6-yl)methanone
CID 112529947
(5-aminopyrazol-1-yl)-(1H-indol-6-yl)methanone
CID 112524607
(4-amino-3,5-dimethylpyrazol-1-yl)-(1H-indol-4-yl)methanone
CID 112525294
[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]-(1H-indol-5-yl)methanone
CID 112530023
(4-amino-2-methylindol-1-yl)-(1H-indol-6-yl)methanone
CID 112526463
(5-amino-2-methylbenzimidazol-1-yl)-(1H-indol-6-yl)methanone
CID 112527634
1H-indol-6-yl-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95978425
ethane;1H-indole-6-carboxylic acid
CID 142472960
(2,6-dimethylpiperidin-1-yl)-(1H-indol-6-yl)methanone
CID 55226480
N-chloro-N-methyl-1H-indole-6-carboxamide
CID 156761567
[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(1H-indol-6-yl)methanone
CID 53000039

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,5-dimethylpyrazol-1-yl)-(1H-indol-6-yl)methanone?
The IUPAC name of (4-amino-3,5-dimethylpyrazol-1-yl)-(1H-indol-6-yl)methanone (CID 112525218) is (4-amino-3,5-dimethylpyrazol-1-yl)-(1H-indol-6-yl)methanone.
What is the SMILES notation for (4-amino-3,5-dimethylpyrazol-1-yl)-(1H-indol-6-yl)methanone?
The canonical SMILES for (4-amino-3,5-dimethylpyrazol-1-yl)-(1H-indol-6-yl)methanone is Cc1nn(C(=O)c2ccc3cc[nH]c3c2)c(C)c1N.
What is the InChIKey of (4-amino-3,5-dimethylpyrazol-1-yl)-(1H-indol-6-yl)methanone?
The InChIKey is NKJZXYMPNHHIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-8-13(15)9(2)18(17-8)14(19)11-4-3-10-5-6-16-12(10)7-11/h3-7,16H,15H2,1-2H3.
What are the key properties of (4-amino-3,5-dimethylpyrazol-1-yl)-(1H-indol-6-yl)methanone?
(4-amino-3,5-dimethylpyrazol-1-yl)-(1H-indol-6-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-6-yl)methanone is sourced from PubChem (CID 112525218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).