1-(4-chlorophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine;hydrochloride

C21H24Cl2N4 — CID 120851953

IUPAC1-(4-chlorophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine;hydrochloride
SMILESCl.Cn1cc(CN(Cc2ccc(Cl)cc2)Cc2cccc3c2NCC3)cn1
InChIInChI=1S/C21H23ClN4.ClH/c1-25-12-17(11-24-25)14-26(13-16-5-7-20(22)8-6-16)15-19-4-2-3-18-9-10-23-21(18)19;/h2-8,11-12,23H,9-10,13-15H2,1H3;1H
InChIKeyTTYHROULRDFSAW-UHFFFAOYSA-N
MW403.36 g/mol
LogP4.67
Rot. Bonds6

About 1-(4-chlorophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine;hydrochloride

1-(4-chlorophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine;hydrochloride (PubChem CID 120851953) has the molecular formula C21H24Cl2N4 and a molecular weight of 403.36 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine;hydrochloride
PubChem CID120851953
Molecular FormulaC21H24Cl2N4
Molecular Weight403.36 g/mol
Exact Mass402.14
IUPAC Name1-(4-chlorophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine;hydrochloride
SMILESCl.Cn1cc(CN(Cc2ccc(Cl)cc2)Cc2cccc3c2NCC3)cn1
InChIInChI=1S/C21H23ClN4.ClH/c1-25-12-17(11-24-25)14-26(13-16-5-7-20(22)8-6-16)15-19-4-2-3-18-9-10-23-21(18)19;/h2-8,11-12,23H,9-10,13-15H2,1H3;1H
InChIKeyTTYHROULRDFSAW-UHFFFAOYSA-N
XLogP4.67
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1H-indol-7-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103006799
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanamine
CID 104557392
N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]ethanamine;hydrochloride
CID 120849581
N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-ethyl-2,2-difluoroethanamine;hydrochloride
CID 120849154
1-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 22196060
N-[(3,5-difluorophenyl)methyl]-1-(2,3-dihydro-1H-indol-7-yl)-N-methylmethanamine;hydrochloride
CID 120849308
N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-methylpropan-2-amine
CID 114326986
4-chloro-2-(chloromethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 114846489
8-[(1-methylpyrazol-4-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 54909171
[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]methanamine
CID 61438389
N-[(2,6-dichlorophenyl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 22196071
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 34898028

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine;hydrochloride?
The IUPAC name of 1-(4-chlorophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine;hydrochloride (CID 120851953) is 1-(4-chlorophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine;hydrochloride?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine;hydrochloride is Cl.Cn1cc(CN(Cc2ccc(Cl)cc2)Cc2cccc3c2NCC3)cn1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine;hydrochloride?
The InChIKey is TTYHROULRDFSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4.ClH/c1-25-12-17(11-24-25)14-26(13-16-5-7-20(22)8-6-16)15-19-4-2-3-18-9-10-23-21(18)19;/h2-8,11-12,23H,9-10,13-15H2,1H3;1H.
What are the key properties of 1-(4-chlorophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine;hydrochloride?
1-(4-chlorophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine;hydrochloride has a molecular weight of 403.36 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine;hydrochloride is sourced from PubChem (CID 120851953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).