4-(3,4-dihydro-1H-isochromen-8-yl)-1H-pyrazol-5-amine

C12H13N3O — CID 117306878

IUPAC4-(3,4-dihydro-1H-isochromen-8-yl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1cccc2c1COCC2
InChIInChI=1S/C12H13N3O/c13-12-10(6-14-15-12)9-3-1-2-8-4-5-16-7-11(8)9/h1-3,6H,4-5,7H2,(H3,13,14,15)
InChIKeyZUTLXMIWDSKPCU-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.73
Rot. Bonds1

About 4-(3,4-dihydro-1H-isochromen-8-yl)-1H-pyrazol-5-amine

4-(3,4-dihydro-1H-isochromen-8-yl)-1H-pyrazol-5-amine (PubChem CID 117306878) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 4-(3,4-dihydro-1H-isochromen-8-yl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(3,4-dihydro-1H-isochromen-8-yl)-1H-pyrazol-5-amine
PubChem CID117306878
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name4-(3,4-dihydro-1H-isochromen-8-yl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1cccc2c1COCC2
InChIInChI=1S/C12H13N3O/c13-12-10(6-14-15-12)9-3-1-2-8-4-5-16-7-11(8)9/h1-3,6H,4-5,7H2,(H3,13,14,15)
InChIKeyZUTLXMIWDSKPCU-UHFFFAOYSA-N
XLogP1.73
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-(4-fluorophenyl)-3,4-dihydro-1H-isochromene
CID 171496490
5-(oxan-4-yl)-4-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-pyrazole
CID 167799237
8-chloro-3,4-dihydro-1H-isochromene
CID 90917909
5-(5-amino-1H-pyrazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 117332229
3,4-dihydro-1H-isochromen-8-ylmethanamine
CID 82596475
4-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1H-pyrazol-5-amine
CID 117328774
4-(5-amino-1H-pyrazol-4-yl)-1-methyl-3H-indol-2-one
CID 117328790
2-(5-amino-1H-pyrazol-4-yl)benzonitrile
CID 117279793
4-(1,2-benzoxazol-7-yl)-1H-pyrazol-5-amine
CID 117289183
4-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-5-amine
CID 117311888
8-methyl-3,4-dihydro-1H-isochromene;N-methylmethanamine
CID 142279468
4-[2-(thietan-3-yl)phenyl]-1H-pyrazol-5-amine
CID 117334800

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-1H-isochromen-8-yl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(3,4-dihydro-1H-isochromen-8-yl)-1H-pyrazol-5-amine (CID 117306878) is 4-(3,4-dihydro-1H-isochromen-8-yl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(3,4-dihydro-1H-isochromen-8-yl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(3,4-dihydro-1H-isochromen-8-yl)-1H-pyrazol-5-amine is Nc1[nH]ncc1-c1cccc2c1COCC2.
What is the InChIKey of 4-(3,4-dihydro-1H-isochromen-8-yl)-1H-pyrazol-5-amine?
The InChIKey is ZUTLXMIWDSKPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c13-12-10(6-14-15-12)9-3-1-2-8-4-5-16-7-11(8)9/h1-3,6H,4-5,7H2,(H3,13,14,15).
What are the key properties of 4-(3,4-dihydro-1H-isochromen-8-yl)-1H-pyrazol-5-amine?
4-(3,4-dihydro-1H-isochromen-8-yl)-1H-pyrazol-5-amine has a molecular weight of 215.26 g/mol, XLogP of 1.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-1H-isochromen-8-yl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117306878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).