1-(1H-indol-7-yl)-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]methanamine

C20H20N4 — CID 167980095

IUPAC1-(1H-indol-7-yl)-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]methanamine
SMILESCc1cccc(-n2cc(CNCc3cccc4cc[nH]c34)cn2)c1
InChIInChI=1S/C20H20N4/c1-15-4-2-7-19(10-15)24-14-16(12-23-24)11-21-13-18-6-3-5-17-8-9-22-20(17)18/h2-10,12,14,21-22H,11,13H2,1H3
InChIKeyLJBJBBUNYQBLSK-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.95
Rot. Bonds5

About 1-(1H-indol-7-yl)-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]methanamine

1-(1H-indol-7-yl)-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]methanamine (PubChem CID 167980095) has the molecular formula C20H20N4 and a molecular weight of 316.41 g/mol. Its IUPAC name is 1-(1H-indol-7-yl)-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(1H-indol-7-yl)-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]methanamine
PubChem CID167980095
Molecular FormulaC20H20N4
Molecular Weight316.41 g/mol
Exact Mass316.17
IUPAC Name1-(1H-indol-7-yl)-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]methanamine
SMILESCc1cccc(-n2cc(CNCc3cccc4cc[nH]c34)cn2)c1
InChIInChI=1S/C20H20N4/c1-15-4-2-7-19(10-15)24-14-16(12-23-24)11-21-13-18-6-3-5-17-8-9-22-20(17)18/h2-10,12,14,21-22H,11,13H2,1H3
InChIKeyLJBJBBUNYQBLSK-UHFFFAOYSA-N
XLogP3.95
TPSA45.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1H-indol-7-yl)-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]methanamine 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

1-(3-methylphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
CID 28663771
N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-(1H-indol-7-yl)methanamine
CID 103748728
1-(1H-indol-7-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine
CID 102847635
2-[1-(3-methylphenyl)pyrazol-4-yl]acetic acid
CID 83887006
1-(1-ethylpyrazol-4-yl)-N-[[1-(3-methylphenyl)-3-phenylpyrazol-4-yl]methyl]methanamine
CID 54669704
N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 56882032
N-[(4-methyl-3-pyridinyl)methyl]-1-(1-phenylpyrazol-4-yl)methanamine
CID 114954910
(2R)-1-(1H-indol-7-ylmethylamino)propan-2-ol
CID 96903920
N-(1H-indol-7-ylmethyl)-2-methoxy-2-methylpropan-1-amine
CID 113243504
3-[[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine
CID 51086144
N-[(1-phenylpyrazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine
CID 54896941
N',N'-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 16773449

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-7-yl)-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]methanamine?
The IUPAC name of 1-(1H-indol-7-yl)-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]methanamine (CID 167980095) is 1-(1H-indol-7-yl)-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]methanamine.
What is the SMILES notation for 1-(1H-indol-7-yl)-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]methanamine?
The canonical SMILES for 1-(1H-indol-7-yl)-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]methanamine is Cc1cccc(-n2cc(CNCc3cccc4cc[nH]c34)cn2)c1.
What is the InChIKey of 1-(1H-indol-7-yl)-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]methanamine?
The InChIKey is LJBJBBUNYQBLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4/c1-15-4-2-7-19(10-15)24-14-16(12-23-24)11-21-13-18-6-3-5-17-8-9-22-20(17)18/h2-10,12,14,21-22H,11,13H2,1H3.
What are the key properties of 1-(1H-indol-7-yl)-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]methanamine?
1-(1H-indol-7-yl)-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]methanamine has a molecular weight of 316.41 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-7-yl)-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]methanamine is sourced from PubChem (CID 167980095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).