5-(5-cyclopropylpyrazol-1-yl)isoquinoline

C15H13N3 — CID 139907312

IUPAC5-(5-cyclopropylpyrazol-1-yl)isoquinoline
SMILESc1cc(-n2nccc2C2CC2)c2ccncc2c1
InChIInChI=1S/C15H13N3/c1-2-12-10-16-8-6-13(12)15(3-1)18-14(7-9-17-18)11-4-5-11/h1-3,6-11H,4-5H2
InChIKeyHOQVEFDNRGOZBR-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.30
Rot. Bonds2

About 5-(5-cyclopropylpyrazol-1-yl)isoquinoline

5-(5-cyclopropylpyrazol-1-yl)isoquinoline (PubChem CID 139907312) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is 5-(5-cyclopropylpyrazol-1-yl)isoquinoline.

Molecular Properties

Compound Name5-(5-cyclopropylpyrazol-1-yl)isoquinoline
PubChem CID139907312
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name5-(5-cyclopropylpyrazol-1-yl)isoquinoline
SMILESc1cc(-n2nccc2C2CC2)c2ccncc2c1
InChIInChI=1S/C15H13N3/c1-2-12-10-16-8-6-13(12)15(3-1)18-14(7-9-17-18)11-4-5-11/h1-3,6-11H,4-5H2
InChIKeyHOQVEFDNRGOZBR-UHFFFAOYSA-N
XLogP3.30
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-methylpyrazol-1-yl)isoquinoline
CID 139907357
5-pyrrolidin-1-ylisoquinoline
CID 82582558
2-isoquinolin-5-yl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79923607
5-[(3S)-3-methylpiperazin-1-yl]isoquinoline
CID 94873112
5-(6-chloro-2-cyclopropylpyrimidin-4-yl)isoquinoline
CID 80947514
methyl 1-isoquinolin-5-ylazetidine-2-carboxylate
CID 112581219
(3aR,7R,7aS)-2-isoquinolin-5-yl-4,7-dimethyl-3a,5,6,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
CID 173121595
N-cyclopropyl-1-isoquinolin-5-yl-4-methylimidazol-2-amine
CID 106562841
N-ethyl-8-isoquinolin-5-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738794
5-(2,5-dimethylpiperazin-1-yl)isoquinoline
CID 64936926
5-(3-methyl-1,4-diazepan-1-yl)isoquinoline
CID 64945525
4-isoquinolin-5-ylcyclohexan-1-one
CID 83262300

Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopropylpyrazol-1-yl)isoquinoline?
The IUPAC name of 5-(5-cyclopropylpyrazol-1-yl)isoquinoline (CID 139907312) is 5-(5-cyclopropylpyrazol-1-yl)isoquinoline.
What is the SMILES notation for 5-(5-cyclopropylpyrazol-1-yl)isoquinoline?
The canonical SMILES for 5-(5-cyclopropylpyrazol-1-yl)isoquinoline is c1cc(-n2nccc2C2CC2)c2ccncc2c1.
What is the InChIKey of 5-(5-cyclopropylpyrazol-1-yl)isoquinoline?
The InChIKey is HOQVEFDNRGOZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c1-2-12-10-16-8-6-13(12)15(3-1)18-14(7-9-17-18)11-4-5-11/h1-3,6-11H,4-5H2.
What are the key properties of 5-(5-cyclopropylpyrazol-1-yl)isoquinoline?
5-(5-cyclopropylpyrazol-1-yl)isoquinoline has a molecular weight of 235.29 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclopropylpyrazol-1-yl)isoquinoline is sourced from PubChem (CID 139907312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).