2-[5-(2,3-dihydro-1H-indol-2-yl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine

C16H22N4O — CID 114663394

IUPAC2-[5-(2,3-dihydro-1H-indol-2-yl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
SMILESCOc1cnn(CCN(C)C)c1C1Cc2ccccc2N1
InChIInChI=1S/C16H22N4O/c1-19(2)8-9-20-16(15(21-3)11-17-20)14-10-12-6-4-5-7-13(12)18-14/h4-7,11,14,18H,8-10H2,1-3H3
InChIKeyVPAHJVPJFLHVHS-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.16
Rot. Bonds5

About 2-[5-(2,3-dihydro-1H-indol-2-yl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine

2-[5-(2,3-dihydro-1H-indol-2-yl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 114663394) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[5-(2,3-dihydro-1H-indol-2-yl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[5-(2,3-dihydro-1H-indol-2-yl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID114663394
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[5-(2,3-dihydro-1H-indol-2-yl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
SMILESCOc1cnn(CCN(C)C)c1C1Cc2ccccc2N1
InChIInChI=1S/C16H22N4O/c1-19(2)8-9-20-16(15(21-3)11-17-20)14-10-12-6-4-5-7-13(12)18-14/h4-7,11,14,18H,8-10H2,1-3H3
InChIKeyVPAHJVPJFLHVHS-UHFFFAOYSA-N
XLogP2.16
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-Methoxy-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine
CID 105046851
1-(2-fluoro-4-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105046892
1-(2,4-difluoro-5-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105046893
(2,4-Difluoro-5-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 105046894
2-(2,6-Difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
CID 105046902
2-(2,3-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylethanamine
CID 105046903
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
CID 105046923
1-(2,3-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105046950
N-[(4-methoxy-1-methylpyrazol-5-yl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 105046966
(4-Methoxy-1-methylpyrazol-5-yl)-(2,3,4-trifluorophenyl)methanamine
CID 105046967
(2-Fluoro-3-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 105046973
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 105046986

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,3-dihydro-1H-indol-2-yl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[5-(2,3-dihydro-1H-indol-2-yl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine (CID 114663394) is 2-[5-(2,3-dihydro-1H-indol-2-yl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[5-(2,3-dihydro-1H-indol-2-yl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[5-(2,3-dihydro-1H-indol-2-yl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine is COc1cnn(CCN(C)C)c1C1Cc2ccccc2N1.
What is the InChIKey of 2-[5-(2,3-dihydro-1H-indol-2-yl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is VPAHJVPJFLHVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-19(2)8-9-20-16(15(21-3)11-17-20)14-10-12-6-4-5-7-13(12)18-14/h4-7,11,14,18H,8-10H2,1-3H3.
What are the key properties of 2-[5-(2,3-dihydro-1H-indol-2-yl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine?
2-[5-(2,3-dihydro-1H-indol-2-yl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 286.38 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,3-dihydro-1H-indol-2-yl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 114663394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).