4-(3-fluoropropyl)-1,3,5-trimethylpyrazole

C9H15FN2 — CID 83930090

IUPAC4-(3-fluoropropyl)-1,3,5-trimethylpyrazole
SMILESCc1nn(C)c(C)c1CCCF
InChIInChI=1S/C9H15FN2/c1-7-9(5-4-6-10)8(2)12(3)11-7/h4-6H2,1-3H3
InChIKeyRUFSCHIZWKLIQI-UHFFFAOYSA-N
MW170.23 g/mol
LogP1.94
Rot. Bonds3

About 4-(3-fluoropropyl)-1,3,5-trimethylpyrazole

4-(3-fluoropropyl)-1,3,5-trimethylpyrazole (PubChem CID 83930090) has the molecular formula C9H15FN2 and a molecular weight of 170.23 g/mol. Its IUPAC name is 4-(3-fluoropropyl)-1,3,5-trimethylpyrazole.

Molecular Properties

Compound Name4-(3-fluoropropyl)-1,3,5-trimethylpyrazole
PubChem CID83930090
Molecular FormulaC9H15FN2
Molecular Weight170.23 g/mol
Exact Mass170.12
IUPAC Name4-(3-fluoropropyl)-1,3,5-trimethylpyrazole
SMILESCc1nn(C)c(C)c1CCCF
InChIInChI=1S/C9H15FN2/c1-7-9(5-4-6-10)8(2)12(3)11-7/h4-6H2,1-3H3
InChIKeyRUFSCHIZWKLIQI-UHFFFAOYSA-N
XLogP1.94
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,3,5-trimethylpyrazol-4-yl)ethanamine;hydrochloride
CID 50988502
ethane;4-ethyl-1,3,5-trimethylpyrazole
CID 143917345
2-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]guanidine
CID 167965198
4-(2-azidoethyl)-1,3,5-trimethylpyrazole
CID 23005972
2-(1,3,5-trimethylpyrazol-4-yl)ethanesulfonamide
CID 130668312
N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]aniline
CID 63104702
4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole
CID 59743946
7-methyl-1-(1,3,5-trimethylpyrazol-4-yl)octan-3-amine
CID 105177156
N,N'-dimethyl-N'-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]ethane-1,2-diamine
CID 113409000
1-(1,3,5-trimethylpyrazol-4-yl)heptane-3,4-diol
CID 83930169
2,2,2-trifluoro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 110443234
N'-methyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 115318737

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoropropyl)-1,3,5-trimethylpyrazole?
The IUPAC name of 4-(3-fluoropropyl)-1,3,5-trimethylpyrazole (CID 83930090) is 4-(3-fluoropropyl)-1,3,5-trimethylpyrazole.
What is the SMILES notation for 4-(3-fluoropropyl)-1,3,5-trimethylpyrazole?
The canonical SMILES for 4-(3-fluoropropyl)-1,3,5-trimethylpyrazole is Cc1nn(C)c(C)c1CCCF.
What is the InChIKey of 4-(3-fluoropropyl)-1,3,5-trimethylpyrazole?
The InChIKey is RUFSCHIZWKLIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2/c1-7-9(5-4-6-10)8(2)12(3)11-7/h4-6H2,1-3H3.
What are the key properties of 4-(3-fluoropropyl)-1,3,5-trimethylpyrazole?
4-(3-fluoropropyl)-1,3,5-trimethylpyrazole has a molecular weight of 170.23 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoropropyl)-1,3,5-trimethylpyrazole is sourced from PubChem (CID 83930090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).