3-amino-1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2,3-dihydroinden-1-ol

C15H18ClN3O — CID 107089736

IUPAC3-amino-1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2,3-dihydroinden-1-ol
SMILESCc1nn(C)c(CC2(O)CC(N)c3ccccc32)c1Cl
InChIInChI=1S/C15H18ClN3O/c1-9-14(16)13(19(2)18-9)8-15(20)7-12(17)10-5-3-4-6-11(10)15/h3-6,12,20H,7-8,17H2,1-2H3
InChIKeyGSYNQXCWIPVUOZ-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.22
Rot. Bonds2

About 3-amino-1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2,3-dihydroinden-1-ol

3-amino-1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2,3-dihydroinden-1-ol (PubChem CID 107089736) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 3-amino-1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name3-amino-1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2,3-dihydroinden-1-ol
PubChem CID107089736
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name3-amino-1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2,3-dihydroinden-1-ol
SMILESCc1nn(C)c(CC2(O)CC(N)c3ccccc32)c1Cl
InChIInChI=1S/C15H18ClN3O/c1-9-14(16)13(19(2)18-9)8-15(20)7-12(17)10-5-3-4-6-11(10)15/h3-6,12,20H,7-8,17H2,1-2H3
InChIKeyGSYNQXCWIPVUOZ-UHFFFAOYSA-N
XLogP2.22
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclopropan-1-amine
CID 66025319
1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclobutan-1-ol
CID 79081887
3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-methylcyclopentan-1-amine
CID 116538698
4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-fluorocyclohexan-1-amine
CID 112562505
4-chloro-5-[[1-(chloromethyl)cyclopentyl]methyl]-1,3-dimethylpyrazole
CID 66033786
3-amino-1-(2-methylpentyl)-2,3-dihydroinden-1-ol
CID 107089566
N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2,5-dimethylpyrrol-1-amine
CID 79100007
1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429583
2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 81013682
4-chloro-5-(3-chloro-2,2-dimethylpropyl)-1,3-dimethylpyrazole
CID 66060387
5-amino-1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2,3-dihydroinden-1-ol
CID 80562861
5-[[1-(bromomethyl)cyclobutyl]methyl]-4-chloro-1,3-dimethylpyrazole
CID 66049102

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2,3-dihydroinden-1-ol?
The IUPAC name of 3-amino-1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2,3-dihydroinden-1-ol (CID 107089736) is 3-amino-1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2,3-dihydroinden-1-ol.
What is the SMILES notation for 3-amino-1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2,3-dihydroinden-1-ol?
The canonical SMILES for 3-amino-1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2,3-dihydroinden-1-ol is Cc1nn(C)c(CC2(O)CC(N)c3ccccc32)c1Cl.
What is the InChIKey of 3-amino-1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2,3-dihydroinden-1-ol?
The InChIKey is GSYNQXCWIPVUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-9-14(16)13(19(2)18-9)8-15(20)7-12(17)10-5-3-4-6-11(10)15/h3-6,12,20H,7-8,17H2,1-2H3.
What are the key properties of 3-amino-1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2,3-dihydroinden-1-ol?
3-amino-1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2,3-dihydroinden-1-ol has a molecular weight of 291.78 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2,3-dihydroinden-1-ol is sourced from PubChem (CID 107089736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).