1-(2,3-dihydro-1H-inden-1-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine

C16H21N3 — CID 103010749

IUPAC1-(2,3-dihydro-1H-inden-1-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCn1cc(CCC(N)C2CCc3ccccc32)cn1
InChIInChI=1S/C16H21N3/c1-19-11-12(10-18-19)6-9-16(17)15-8-7-13-4-2-3-5-14(13)15/h2-5,10-11,15-16H,6-9,17H2,1H3
InChIKeyDUJNSEUIJXRQHN-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.41
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-1-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine

1-(2,3-dihydro-1H-inden-1-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine (PubChem CID 103010749) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-1-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-1-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
PubChem CID103010749
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name1-(2,3-dihydro-1H-inden-1-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCn1cc(CCC(N)C2CCc3ccccc32)cn1
InChIInChI=1S/C16H21N3/c1-19-11-12(10-18-19)6-9-16(17)15-8-7-13-4-2-3-5-14(13)15/h2-5,10-11,15-16H,6-9,17H2,1H3
InChIKeyDUJNSEUIJXRQHN-UHFFFAOYSA-N
XLogP2.41
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(1-methylpyrazol-4-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]hydrazine
CID 103025799
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103008155
1-(2,3-dihydro-1-benzothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029885
N-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103004433
1-(2,3-dihydro-1H-inden-1-yl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 82877822
1-(2,3-dihydro-1H-inden-1-yl)undecan-1-amine
CID 65403955
1-(2,3-dihydro-1H-inden-1-yl)-2-phenylethanamine
CID 65405904
1-(2-bicyclo[2.2.1]heptanyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103012100
4-[(1-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1-methylpyrazole
CID 55040438
1-(3-bicyclo[3.1.0]hexanyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029830
1-(2-cyclopropylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103006443
2-cyclopropyl-1-(2,3-dihydro-1H-inden-1-yl)ethanamine
CID 65403573

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine (CID 103010749) is 1-(2,3-dihydro-1H-inden-1-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-1-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-1-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine is Cn1cc(CCC(N)C2CCc3ccccc32)cn1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-1-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The InChIKey is DUJNSEUIJXRQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-19-11-12(10-18-19)6-9-16(17)15-8-7-13-4-2-3-5-14(13)15/h2-5,10-11,15-16H,6-9,17H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-1-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
1-(2,3-dihydro-1H-inden-1-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine has a molecular weight of 255.37 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-1-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 103010749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).