N-methyl-1-(1-methylindol-5-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine

C18H24N4 — CID 91790202

IUPACN-methyl-1-(1-methylindol-5-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
SMILESCC(C)n1cc(CN(C)Cc2ccc3c(ccn3C)c2)cn1
InChIInChI=1S/C18H24N4/c1-14(2)22-13-16(10-19-22)12-20(3)11-15-5-6-18-17(9-15)7-8-21(18)4/h5-10,13-14H,11-12H2,1-4H3
InChIKeyXXRQYTNCMZQQHK-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.59
Rot. Bonds5

About N-methyl-1-(1-methylindol-5-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine

N-methyl-1-(1-methylindol-5-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine (PubChem CID 91790202) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-methyl-1-(1-methylindol-5-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-methylindol-5-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
PubChem CID91790202
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC NameN-methyl-1-(1-methylindol-5-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
SMILESCC(C)n1cc(CN(C)Cc2ccc3c(ccn3C)c2)cn1
InChIInChI=1S/C18H24N4/c1-14(2)22-13-16(10-19-22)12-20(3)11-15-5-6-18-17(9-15)7-8-21(18)4/h5-10,13-14H,11-12H2,1-4H3
InChIKeyXXRQYTNCMZQQHK-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylindol-5-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-(1-methylindol-5-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine (CID 91790202) is N-methyl-1-(1-methylindol-5-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-(1-methylindol-5-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-(1-methylindol-5-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine is CC(C)n1cc(CN(C)Cc2ccc3c(ccn3C)c2)cn1.
What is the InChIKey of N-methyl-1-(1-methylindol-5-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine?
The InChIKey is XXRQYTNCMZQQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-14(2)22-13-16(10-19-22)12-20(3)11-15-5-6-18-17(9-15)7-8-21(18)4/h5-10,13-14H,11-12H2,1-4H3.
What are the key properties of N-methyl-1-(1-methylindol-5-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine?
N-methyl-1-(1-methylindol-5-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine has a molecular weight of 296.42 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylindol-5-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 91790202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).