3-(7-chloro-2,3-dihydro-1H-inden-5-yl)-1-methylpyrazol-5-amine

C13H14ClN3 — CID 117372561

IUPAC3-(7-chloro-2,3-dihydro-1H-inden-5-yl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2cc(Cl)c3c(c2)CCC3)cc1N
InChIInChI=1S/C13H14ClN3/c1-17-13(15)7-12(16-17)9-5-8-3-2-4-10(8)11(14)6-9/h5-7H,2-4,15H2,1H3
InChIKeyUNWNNCWKIHZUCY-UHFFFAOYSA-N
MW247.73 g/mol
LogP2.81
Rot. Bonds1

About 3-(7-chloro-2,3-dihydro-1H-inden-5-yl)-1-methylpyrazol-5-amine

3-(7-chloro-2,3-dihydro-1H-inden-5-yl)-1-methylpyrazol-5-amine (PubChem CID 117372561) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 3-(7-chloro-2,3-dihydro-1H-inden-5-yl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(7-chloro-2,3-dihydro-1H-inden-5-yl)-1-methylpyrazol-5-amine
PubChem CID117372561
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name3-(7-chloro-2,3-dihydro-1H-inden-5-yl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2cc(Cl)c3c(c2)CCC3)cc1N
InChIInChI=1S/C13H14ClN3/c1-17-13(15)7-12(16-17)9-5-8-3-2-4-10(8)11(14)6-9/h5-7H,2-4,15H2,1H3
InChIKeyUNWNNCWKIHZUCY-UHFFFAOYSA-N
XLogP2.81
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-amino-1-methylpyrazol-3-yl)-3-chloro-5,6,7,8-tetrahydronaphthalen-2-ol
CID 136931996
3-(3,4-dichlorophenyl)-1-methylpyrazol-5-amine
CID 1471110
4-(5-amino-1-methylpyrazol-3-yl)-2-chlorophenol
CID 136968433
3-(3-chloro-5-methylphenyl)-1-methylpyrazol-5-amine
CID 81323807
2-(5-amino-1-methylpyrazol-3-yl)-4-bromo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 136998201
3-(1,3-dihydro-2-benzofuran-5-yl)-1-methylpyrazol-5-amine
CID 63744696
3-(4-chloro-1H-indol-6-yl)-1-methylpyrazol-5-amine
CID 117369283
3-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)-1-methylpyrazol-5-amine
CID 117431561
3-[4-chloro-3-(dimethylamino)phenyl]-1-methylpyrazol-5-amine
CID 115111978
3-(3,4-difluoro-5-methylphenyl)-1-methylpyrazol-5-amine
CID 117319254
4-(7-bromo-2,3-dihydro-1H-inden-5-yl)-1-methylpyrazol-5-amine
CID 117471765
3-(4-chloro-2,3-dimethoxy-6-methylphenyl)-1-methylpyrazol-5-amine
CID 117452274

Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-2,3-dihydro-1H-inden-5-yl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(7-chloro-2,3-dihydro-1H-inden-5-yl)-1-methylpyrazol-5-amine (CID 117372561) is 3-(7-chloro-2,3-dihydro-1H-inden-5-yl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(7-chloro-2,3-dihydro-1H-inden-5-yl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(7-chloro-2,3-dihydro-1H-inden-5-yl)-1-methylpyrazol-5-amine is Cn1nc(-c2cc(Cl)c3c(c2)CCC3)cc1N.
What is the InChIKey of 3-(7-chloro-2,3-dihydro-1H-inden-5-yl)-1-methylpyrazol-5-amine?
The InChIKey is UNWNNCWKIHZUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-17-13(15)7-12(16-17)9-5-8-3-2-4-10(8)11(14)6-9/h5-7H,2-4,15H2,1H3.
What are the key properties of 3-(7-chloro-2,3-dihydro-1H-inden-5-yl)-1-methylpyrazol-5-amine?
3-(7-chloro-2,3-dihydro-1H-inden-5-yl)-1-methylpyrazol-5-amine has a molecular weight of 247.73 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-2,3-dihydro-1H-inden-5-yl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117372561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).