[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-(1H-indol-4-yl)methanone

C15H16N4O — CID 112528563

IUPAC[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-(1H-indol-4-yl)methanone
SMILESCc1nn(C(=O)c2cccc3[nH]ccc23)c(C)c1CN
InChIInChI=1S/C15H16N4O/c1-9-13(8-16)10(2)19(18-9)15(20)12-4-3-5-14-11(12)6-7-17-14/h3-7,17H,8,16H2,1-2H3
InChIKeyZBQKUEYRNIHCRR-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.13
Rot. Bonds2

About [4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-(1H-indol-4-yl)methanone

[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-(1H-indol-4-yl)methanone (PubChem CID 112528563) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is [4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-(1H-indol-4-yl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-(1H-indol-4-yl)methanone
PubChem CID112528563
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-(1H-indol-4-yl)methanone
SMILESCc1nn(C(=O)c2cccc3[nH]ccc23)c(C)c1CN
InChIInChI=1S/C15H16N4O/c1-9-13(8-16)10(2)19(18-9)15(20)12-4-3-5-14-11(12)6-7-17-14/h3-7,17H,8,16H2,1-2H3
InChIKeyZBQKUEYRNIHCRR-UHFFFAOYSA-N
XLogP2.13
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-3,5-dimethylpyrazol-1-yl)-(1H-indol-4-yl)methanone
CID 112525294
[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
N-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-4-carboxamide
CID 61258967
1H-indole-4-carbohydrazide
CID 43316644
azepan-1-yl(1H-indol-4-yl)methanone
CID 43582350
(3-aminoazetidin-1-yl)-(1H-indol-4-yl)methanone
CID 65245171
ethane;1H-indol-4-ylmethanamine
CID 144540106
1H-indole-4-carbonyl bromide
CID 175285982
1H-indole-4-carboxylate
CID 6951562
[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-(5-methyl-1,3-oxazol-2-yl)methanone
CID 112528460
[4-(ethylaminomethyl)piperidin-1-yl]-(1H-indol-4-yl)methanone
CID 80550607

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-(1H-indol-4-yl)methanone?
The IUPAC name of [4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-(1H-indol-4-yl)methanone (CID 112528563) is [4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-(1H-indol-4-yl)methanone.
What is the SMILES notation for [4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-(1H-indol-4-yl)methanone?
The canonical SMILES for [4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-(1H-indol-4-yl)methanone is Cc1nn(C(=O)c2cccc3[nH]ccc23)c(C)c1CN.
What is the InChIKey of [4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-(1H-indol-4-yl)methanone?
The InChIKey is ZBQKUEYRNIHCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-9-13(8-16)10(2)19(18-9)15(20)12-4-3-5-14-11(12)6-7-17-14/h3-7,17H,8,16H2,1-2H3.
What are the key properties of [4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-(1H-indol-4-yl)methanone?
[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-(1H-indol-4-yl)methanone has a molecular weight of 268.32 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-(1H-indol-4-yl)methanone is sourced from PubChem (CID 112528563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).