N-[(1-methylindol-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine

C18H24N4 — CID 50971160

IUPACN-[(1-methylindol-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine
SMILESCC(C)N(Cc1cnn(C)c1)Cc1cn(C)c2ccccc12
InChIInChI=1S/C18H24N4/c1-14(2)22(11-15-9-19-21(4)10-15)13-16-12-20(3)18-8-6-5-7-17(16)18/h5-10,12,14H,11,13H2,1-4H3
InChIKeyVAGNTKFVAPUSND-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.32
Rot. Bonds5

About N-[(1-methylindol-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine

N-[(1-methylindol-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine (PubChem CID 50971160) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-[(1-methylindol-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1-methylindol-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine
PubChem CID50971160
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC NameN-[(1-methylindol-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine
SMILESCC(C)N(Cc1cnn(C)c1)Cc1cn(C)c2ccccc12
InChIInChI=1S/C18H24N4/c1-14(2)22(11-15-9-19-21(4)10-15)13-16-12-20(3)18-8-6-5-7-17(16)18/h5-10,12,14H,11,13H2,1-4H3
InChIKeyVAGNTKFVAPUSND-UHFFFAOYSA-N
XLogP3.32
TPSA25.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]methyl]pyridin-3-ol
CID 29029305
N-[(1-methylpyrazol-4-yl)methyl]-N-[2-[(R)-phenylsulfinyl]ethyl]propan-2-amine
CID 95323085
N,N'-dimethyl-N,N'-bis[(1-methylindol-3-yl)methyl]propane-1,3-diamine
CID 140589591
N-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine
CID 26331494
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine
CID 50977720
N'-hydroxy-3-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]propanimidamide
CID 62126180
2-[1-[2-(1-methylpyrazol-4-yl)ethyl]indol-3-yl]ethanamine
CID 103015036
(1R,2S)-2-[methyl-[(1-methylindol-3-yl)methyl]amino]-1-phenylpropan-1-ol
CID 15496455
N-[(1-methylpyrazol-4-yl)methyl]-4-oxo-4-phenyl-N-propan-2-ylbutanamide
CID 51090804
2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 56816908
N-[(1-methylpyrazol-4-yl)methyl]-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 28734076
ethane;4-ethyl-1-methylpyrazole
CID 143829284

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylindol-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(1-methylindol-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine (CID 50971160) is N-[(1-methylindol-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(1-methylindol-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(1-methylindol-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine is CC(C)N(Cc1cnn(C)c1)Cc1cn(C)c2ccccc12.
What is the InChIKey of N-[(1-methylindol-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine?
The InChIKey is VAGNTKFVAPUSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-14(2)22(11-15-9-19-21(4)10-15)13-16-12-20(3)18-8-6-5-7-17(16)18/h5-10,12,14H,11,13H2,1-4H3.
What are the key properties of N-[(1-methylindol-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine?
N-[(1-methylindol-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine has a molecular weight of 296.42 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylindol-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 50971160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).