1-[1-[(1-methylindazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine

C17H22N4 — CID 66404468

IUPAC1-[1-[(1-methylindazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine
SMILESCCC(N)Cc1cccn1Cc1nn(C)c2ccccc12
InChIInChI=1S/C17H22N4/c1-3-13(18)11-14-7-6-10-21(14)12-16-15-8-4-5-9-17(15)20(2)19-16/h4-10,13H,3,11-12,18H2,1-2H3
InChIKeyMSLFSCSXKXCEGB-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.70
Rot. Bonds5

About 1-[1-[(1-methylindazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine

1-[1-[(1-methylindazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine (PubChem CID 66404468) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[1-[(1-methylindazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1-[(1-methylindazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine
PubChem CID66404468
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name1-[1-[(1-methylindazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine
SMILESCCC(N)Cc1cccn1Cc1nn(C)c2ccccc12
InChIInChI=1S/C17H22N4/c1-3-13(18)11-14-7-6-10-21(14)12-16-15-8-4-5-9-17(15)20(2)19-16/h4-10,13H,3,11-12,18H2,1-2H3
InChIKeyMSLFSCSXKXCEGB-UHFFFAOYSA-N
XLogP2.70
TPSA48.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(3-methyl-2-pyridinyl)methyl]pyrrol-2-yl]butan-2-amine
CID 112651314
1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]butan-2-amine
CID 66406093
1-[1-[(1-methylindazol-3-yl)methyl]pyrrol-2-yl]ethanone
CID 79107232
1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine
CID 66405681
1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine
CID 66405884
1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine
CID 66406289
3-amino-1-[(1-methylindazol-3-yl)methyl]pyridin-4-one
CID 82990279
1-[1-(quinolin-8-ylmethyl)pyrrol-2-yl]butan-2-amine
CID 66405485
1-(2-chlorofuran-3-yl)-2-(1-methylindazol-3-yl)ethanamine
CID 106692425
1-[1-[(4-chloro-2-fluorophenyl)methyl]pyrrol-2-yl]butan-2-amine
CID 114859185
1-[1-[(1-methylindazol-3-yl)methyl]triazol-4-yl]ethanamine
CID 114419762
2-(1-methylindazol-3-yl)-1-(5-methylpyrazin-2-yl)ethanamine
CID 105161433

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-methylindazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine?
The IUPAC name of 1-[1-[(1-methylindazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine (CID 66404468) is 1-[1-[(1-methylindazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine.
What is the SMILES notation for 1-[1-[(1-methylindazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine?
The canonical SMILES for 1-[1-[(1-methylindazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine is CCC(N)Cc1cccn1Cc1nn(C)c2ccccc12.
What is the InChIKey of 1-[1-[(1-methylindazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine?
The InChIKey is MSLFSCSXKXCEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-3-13(18)11-14-7-6-10-21(14)12-16-15-8-4-5-9-17(15)20(2)19-16/h4-10,13H,3,11-12,18H2,1-2H3.
What are the key properties of 1-[1-[(1-methylindazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine?
1-[1-[(1-methylindazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine has a molecular weight of 282.39 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-methylindazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine is sourced from PubChem (CID 66404468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).