1,3-dipropylindazole

C13H18N2 — CID 174534089

IUPAC1,3-dipropylindazole
SMILESCCCc1nn(CCC)c2ccccc12
InChIInChI=1S/C13H18N2/c1-3-7-12-11-8-5-6-9-13(11)15(14-12)10-4-2/h5-6,8-9H,3-4,7,10H2,1-2H3
InChIKeyVXEDTGPXRGKMRB-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.40
Rot. Bonds4

About 1,3-dipropylindazole

1,3-dipropylindazole (PubChem CID 174534089) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1,3-dipropylindazole.

Molecular Properties

Compound Name1,3-dipropylindazole
PubChem CID174534089
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name1,3-dipropylindazole
SMILESCCCc1nn(CCC)c2ccccc12
InChIInChI=1S/C13H18N2/c1-3-7-12-11-8-5-6-9-13(11)15(14-12)10-4-2/h5-6,8-9H,3-4,7,10H2,1-2H3
InChIKeyVXEDTGPXRGKMRB-UHFFFAOYSA-N
XLogP3.40
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;3-methyl-1-propylindazole
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[1-[2-(1-methylpyrazol-4-yl)ethyl]indazol-3-yl]methanamine
CID 103015702
5-chloro-3-ethyl-1-propylindazole
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3-ethyl-1-(propoxymethyl)indazole
CID 70846953
1-[6-[4-[(1-propylindazol-3-yl)methyl]piperazin-1-yl]-3-pyridinyl]ethenol
CID 70639271
[1-(3-ethoxypropyl)indazol-3-yl]methanamine
CID 65177727
1-[(1-ethylindazol-3-yl)methyl]cyclopropan-1-amine
CID 66025770
1-butylindazol-3-amine
CID 62686774
N-methyl-1-[1-(2-propylsulfonylethyl)indazol-3-yl]methanamine
CID 106731962
[1-(4,4-dimethylpentyl)indazol-3-yl]methanamine
CID 114210297
N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]indazol-3-yl]methanamine
CID 103015728

Frequently Asked Questions

What is the IUPAC name of 1,3-dipropylindazole?
The IUPAC name of 1,3-dipropylindazole (CID 174534089) is 1,3-dipropylindazole.
What is the SMILES notation for 1,3-dipropylindazole?
The canonical SMILES for 1,3-dipropylindazole is CCCc1nn(CCC)c2ccccc12.
What is the InChIKey of 1,3-dipropylindazole?
The InChIKey is VXEDTGPXRGKMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-3-7-12-11-8-5-6-9-13(11)15(14-12)10-4-2/h5-6,8-9H,3-4,7,10H2,1-2H3.
What are the key properties of 1,3-dipropylindazole?
1,3-dipropylindazole has a molecular weight of 202.30 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dipropylindazole is sourced from PubChem (CID 174534089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).