N,N-diethyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine

C19H27N3 — CID 25154368

IUPACN,N-diethyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine
SMILESCCN(CC)C1CCc2ccc(-c3c(C)nn(C)c3C)cc21
InChIInChI=1S/C19H27N3/c1-6-22(7-2)18-11-10-15-8-9-16(12-17(15)18)19-13(3)20-21(5)14(19)4/h8-9,12,18H,6-7,10-11H2,1-5H3
InChIKeyHTVPUOMMICYRHS-UHFFFAOYSA-N
MW297.45 g/mol
LogP4.03
Rot. Bonds4

About N,N-diethyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine

N,N-diethyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 25154368) has the molecular formula C19H27N3 and a molecular weight of 297.45 g/mol. Its IUPAC name is N,N-diethyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN,N-diethyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine
PubChem CID25154368
Molecular FormulaC19H27N3
Molecular Weight297.45 g/mol
Exact Mass297.22
IUPAC NameN,N-diethyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine
SMILESCCN(CC)C1CCc2ccc(-c3c(C)nn(C)c3C)cc21
InChIInChI=1S/C19H27N3/c1-6-22(7-2)18-11-10-15-8-9-16(12-17(15)18)19-13(3)20-21(5)14(19)4/h8-9,12,18H,6-7,10-11H2,1-5H3
InChIKeyHTVPUOMMICYRHS-UHFFFAOYSA-N
XLogP4.03
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N,N-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine
CID 25154365
N,N-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine
CID 25154364
(1S)-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine
CID 25154534
N-methyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine
CID 25154366
N-[[2-fluoro-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
CID 61033411
N-[5-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
CID 11681775
6-[4,5-dimethyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 51348726
4-(4-chlorophenyl)-1,3,5-trimethylpyrazole
CID 142305322
N,N-dimethyl-6-[2-methyl-6-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine
CID 58173143
1-methyl-3-(3-methyl-2,3-dihydro-1H-inden-5-yl)pyrazol-5-amine
CID 117327427
1-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]propan-1-amine
CID 54910094
2-[ethyl-(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]acetic acid
CID 79367822

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N,N-diethyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine (CID 25154368) is N,N-diethyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N,N-diethyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N,N-diethyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine is CCN(CC)C1CCc2ccc(-c3c(C)nn(C)c3C)cc21.
What is the InChIKey of N,N-diethyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is HTVPUOMMICYRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3/c1-6-22(7-2)18-11-10-15-8-9-16(12-17(15)18)19-13(3)20-21(5)14(19)4/h8-9,12,18H,6-7,10-11H2,1-5H3.
What are the key properties of N,N-diethyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine?
N,N-diethyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 297.45 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 25154368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).