N-[(6-chloro-1H-indol-3-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine

C16H19ClN4 — CID 78968459

IUPACN-[(6-chloro-1H-indol-3-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine
SMILESCc1c(C(C)NCc2c[nH]c3cc(Cl)ccc23)cnn1C
InChIInChI=1S/C16H19ClN4/c1-10(15-9-20-21(3)11(15)2)18-7-12-8-19-16-6-13(17)4-5-14(12)16/h4-6,8-10,18-19H,7H2,1-3H3
InChIKeyBJWACIOWXKYCDE-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.71
Rot. Bonds4

About N-[(6-chloro-1H-indol-3-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine

N-[(6-chloro-1H-indol-3-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine (PubChem CID 78968459) has the molecular formula C16H19ClN4 and a molecular weight of 302.81 g/mol. Its IUPAC name is N-[(6-chloro-1H-indol-3-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(6-chloro-1H-indol-3-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine
PubChem CID78968459
Molecular FormulaC16H19ClN4
Molecular Weight302.81 g/mol
Exact Mass302.13
IUPAC NameN-[(6-chloro-1H-indol-3-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine
SMILESCc1c(C(C)NCc2c[nH]c3cc(Cl)ccc23)cnn1C
InChIInChI=1S/C16H19ClN4/c1-10(15-9-20-21(3)11(15)2)18-7-12-8-19-16-6-13(17)4-5-14(12)16/h4-6,8-10,18-19H,7H2,1-3H3
InChIKeyBJWACIOWXKYCDE-UHFFFAOYSA-N
XLogP3.71
TPSA45.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-chloro-1H-indol-3-yl)methyl]-1-pyridin-4-ylethanamine
CID 78968571
N-[(2,5-difluorophenyl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine
CID 19624853
N-[(6-chloro-1H-indol-3-yl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 78968443
2-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenol
CID 19627463
N-[(6-chloro-1H-indol-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 78968532
N-[(3-chloro-4-fluorophenyl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine
CID 81146308
N-[(6-chloro-1H-indol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 78968616
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 51077850
1-(1,5-dimethylpyrazol-4-yl)-N-[(1-methylindol-3-yl)methyl]ethanamine
CID 107235283
1-(2,5-difluorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 79578537
(1S)-1-(3-chlorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 81372486
1-(1,5-dimethylpyrazol-4-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 19625587

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1H-indol-3-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine?
The IUPAC name of N-[(6-chloro-1H-indol-3-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine (CID 78968459) is N-[(6-chloro-1H-indol-3-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-[(6-chloro-1H-indol-3-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-[(6-chloro-1H-indol-3-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine is Cc1c(C(C)NCc2c[nH]c3cc(Cl)ccc23)cnn1C.
What is the InChIKey of N-[(6-chloro-1H-indol-3-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine?
The InChIKey is BJWACIOWXKYCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4/c1-10(15-9-20-21(3)11(15)2)18-7-12-8-19-16-6-13(17)4-5-14(12)16/h4-6,8-10,18-19H,7H2,1-3H3.
What are the key properties of N-[(6-chloro-1H-indol-3-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine?
N-[(6-chloro-1H-indol-3-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine has a molecular weight of 302.81 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1H-indol-3-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 78968459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).