N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]propan-2-amine

C9H16FN3 — CID 165470187

IUPACN-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccn(CCF)n1
InChIInChI=1S/C9H16FN3/c1-8(2)11-7-9-3-5-13(12-9)6-4-10/h3,5,8,11H,4,6-7H2,1-2H3
InChIKeyVJAGIWYCMBWOCB-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.35
Rot. Bonds5

About N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]propan-2-amine

N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]propan-2-amine (PubChem CID 165470187) has the molecular formula C9H16FN3 and a molecular weight of 185.25 g/mol. Its IUPAC name is N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]propan-2-amine
PubChem CID165470187
Molecular FormulaC9H16FN3
Molecular Weight185.25 g/mol
Exact Mass185.13
IUPAC NameN-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccn(CCF)n1
InChIInChI=1S/C9H16FN3/c1-8(2)11-7-9-3-5-13(12-9)6-4-10/h3,5,8,11H,4,6-7H2,1-2H3
InChIKeyVJAGIWYCMBWOCB-UHFFFAOYSA-N
XLogP1.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 122166525
N-[[1-(2-cyclohexylethyl)pyrazol-3-yl]methyl]propan-2-amine
CID 114192839
1-(2-fluoroethyl)-3-(propan-2-yloxymethyl)pyrazole
CID 122170480
N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(4-fluorophenyl)methanamine
CID 122168541
N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-[1-(2-fluoroethyl)pyrazol-3-yl]methanamine
CID 124932393
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-3-yl]methanamine;hydrochloride
CID 126968344
1-(2,3-difluorophenyl)-N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]methanamine
CID 122168274
1-[1-(2-fluoroethyl)pyrazol-3-yl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 126967555
N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-1-[1-(2-fluoroethyl)pyrazol-3-yl]methanamine;hydrochloride
CID 126967207
(1-propylpyrazol-3-yl)methanamine
CID 19576818
N-methyl-1-(1-propylpyrazol-3-yl)methanamine
CID 19620904
2-methyl-N-[(1-propylpyrazol-3-yl)methyl]propan-1-amine;hydrochloride
CID 126968063

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]propan-2-amine (CID 165470187) is N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]propan-2-amine is CC(C)NCc1ccn(CCF)n1.
What is the InChIKey of N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]propan-2-amine?
The InChIKey is VJAGIWYCMBWOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN3/c1-8(2)11-7-9-3-5-13(12-9)6-4-10/h3,5,8,11H,4,6-7H2,1-2H3.
What are the key properties of N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]propan-2-amine?
N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]propan-2-amine has a molecular weight of 185.25 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 165470187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).