N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(1H-indol-7-yl)-N-methylmethanamine

C18H24N4 — CID 77092242

IUPACN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(1H-indol-7-yl)-N-methylmethanamine
SMILESCN(Cc1cc(C(C)(C)C)n[nH]1)Cc1cccc2cc[nH]c12
InChIInChI=1S/C18H24N4/c1-18(2,3)16-10-15(20-21-16)12-22(4)11-14-7-5-6-13-8-9-19-17(13)14/h5-10,19H,11-12H2,1-4H3,(H,20,21)
InChIKeyBWDQWOJOAMTSAQ-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.82
Rot. Bonds4

About N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(1H-indol-7-yl)-N-methylmethanamine

N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(1H-indol-7-yl)-N-methylmethanamine (PubChem CID 77092242) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(1H-indol-7-yl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(1H-indol-7-yl)-N-methylmethanamine
PubChem CID77092242
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(1H-indol-7-yl)-N-methylmethanamine
SMILESCN(Cc1cc(C(C)(C)C)n[nH]1)Cc1cccc2cc[nH]c12
InChIInChI=1S/C18H24N4/c1-18(2,3)16-10-15(20-21-16)12-22(4)11-14-7-5-6-13-8-9-19-17(13)14/h5-10,19H,11-12H2,1-4H3,(H,20,21)
InChIKeyBWDQWOJOAMTSAQ-UHFFFAOYSA-N
XLogP3.82
TPSA47.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(1H-indol-7-yl)-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-indole-6-carboxamide
CID 91790635
7-(2,2-dimethylpropyl)-1H-indole
CID 69029945
N-(1H-indol-7-ylmethyl)-N-methyl-3-(4-methylphenyl)prop-2-en-1-amine
CID 176731953
(E)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,2-dimethylbut-2-en-1-amine
CID 50949002
3-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]propanoic acid
CID 120586281
1-(3-tert-butyl-1H-pyrazol-5-yl)-N-methyl-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]methanamine
CID 46999860
7-[(2-methylpropan-2-yl)oxymethyl]-1H-indole
CID 59674725
2-[2-(1H-indol-7-yl)ethyl-methylamino]ethanol
CID 20729409
4-[3-[1H-indol-7-ylmethyl(methyl)amino]prop-1-enyl]benzonitrile
CID 176731956
2-[1H-indol-7-ylmethyl(methyl)amino]ethanol;2-[1H-indol-7-ylmethyl(methyl)amino]ethyl methanesulfonate
CID 159652116
1-[4-[[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]thiophen-2-yl]ethanone
CID 56707439
1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methyl-3-(3-methylsulfanylphenyl)urea
CID 72919468

Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(1H-indol-7-yl)-N-methylmethanamine?
The IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(1H-indol-7-yl)-N-methylmethanamine (CID 77092242) is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(1H-indol-7-yl)-N-methylmethanamine.
What is the SMILES notation for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(1H-indol-7-yl)-N-methylmethanamine?
The canonical SMILES for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(1H-indol-7-yl)-N-methylmethanamine is CN(Cc1cc(C(C)(C)C)n[nH]1)Cc1cccc2cc[nH]c12.
What is the InChIKey of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(1H-indol-7-yl)-N-methylmethanamine?
The InChIKey is BWDQWOJOAMTSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-18(2,3)16-10-15(20-21-16)12-22(4)11-14-7-5-6-13-8-9-19-17(13)14/h5-10,19H,11-12H2,1-4H3,(H,20,21).
What are the key properties of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(1H-indol-7-yl)-N-methylmethanamine?
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(1H-indol-7-yl)-N-methylmethanamine has a molecular weight of 296.42 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(1H-indol-7-yl)-N-methylmethanamine is sourced from PubChem (CID 77092242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).