1-(1H-indol-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylmethanamine

C21H22N4O — CID 56883576

IUPAC1-(1H-indol-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylmethanamine
SMILESCOc1cccc(-n2cc(CN(C)Cc3cc4ccccc4[nH]3)cn2)c1
InChIInChI=1S/C21H22N4O/c1-24(15-18-10-17-6-3-4-9-21(17)23-18)13-16-12-22-25(14-16)19-7-5-8-20(11-19)26-2/h3-12,14,23H,13,15H2,1-2H3
InChIKeyMPOYNFLBRACGEZ-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.99
Rot. Bonds6

About 1-(1H-indol-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylmethanamine

1-(1H-indol-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylmethanamine (PubChem CID 56883576) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-(1H-indol-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(1H-indol-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylmethanamine
PubChem CID56883576
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name1-(1H-indol-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylmethanamine
SMILESCOc1cccc(-n2cc(CN(C)Cc3cc4ccccc4[nH]3)cn2)c1
InChIInChI=1S/C21H22N4O/c1-24(15-18-10-17-6-3-4-9-21(17)23-18)13-16-12-22-25(14-16)19-7-5-8-20(11-19)26-2/h3-12,14,23H,13,15H2,1-2H3
InChIKeyMPOYNFLBRACGEZ-UHFFFAOYSA-N
XLogP3.99
TPSA46.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,5-dimethylfuran-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylmethanamine
CID 56897462
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(N-methylanilino)acetamide
CID 70732597
(5S)-5-(3-methoxyphenyl)-5-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]imidazolidine-2,4-dione
CID 9321888
[2-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]-1,3-thiazol-4-yl]methanol
CID 72861471
1-(4-methoxy-3-methylphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
CID 60589279
1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
CID 18135903
(1S,5R)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
CID 154897157
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylindolizine-3-carboxamide
CID 162630973
1-(5-bromo-2-methoxyphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
CID 24594012
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-3,4-dihydro-2H-chromene-2-carboxamide
CID 86284156
(2R)-2-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 124757474
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide
CID 56884552

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylmethanamine?
The IUPAC name of 1-(1H-indol-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylmethanamine (CID 56883576) is 1-(1H-indol-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(1H-indol-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylmethanamine?
The canonical SMILES for 1-(1H-indol-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylmethanamine is COc1cccc(-n2cc(CN(C)Cc3cc4ccccc4[nH]3)cn2)c1.
What is the InChIKey of 1-(1H-indol-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylmethanamine?
The InChIKey is MPOYNFLBRACGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-24(15-18-10-17-6-3-4-9-21(17)23-18)13-16-12-22-25(14-16)19-7-5-8-20(11-19)26-2/h3-12,14,23H,13,15H2,1-2H3.
What are the key properties of 1-(1H-indol-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylmethanamine?
1-(1H-indol-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylmethanamine has a molecular weight of 346.43 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylmethanamine is sourced from PubChem (CID 56883576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).