1-[2-(2-fluoroethyl)pyrazol-3-yl]-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]methanamine

C14H22FN5 — CID 122167447

IUPAC1-[2-(2-fluoroethyl)pyrazol-3-yl]-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]methanamine
SMILESCCCn1nc(C)cc1CNCc1ccnn1CCF
InChIInChI=1S/C14H22FN5/c1-3-7-20-14(9-12(2)18-20)11-16-10-13-4-6-17-19(13)8-5-15/h4,6,9,16H,3,5,7-8,10-11H2,1-2H3
InChIKeyCAKZBCUUYQBOAA-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.06
Rot. Bonds8

About 1-[2-(2-fluoroethyl)pyrazol-3-yl]-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]methanamine

1-[2-(2-fluoroethyl)pyrazol-3-yl]-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]methanamine (PubChem CID 122167447) has the molecular formula C14H22FN5 and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-[2-(2-fluoroethyl)pyrazol-3-yl]-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[2-(2-fluoroethyl)pyrazol-3-yl]-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]methanamine
PubChem CID122167447
Molecular FormulaC14H22FN5
Molecular Weight279.36 g/mol
Exact Mass279.19
IUPAC Name1-[2-(2-fluoroethyl)pyrazol-3-yl]-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]methanamine
SMILESCCCn1nc(C)cc1CNCc1ccnn1CCF
InChIInChI=1S/C14H22FN5/c1-3-7-20-14(9-12(2)18-20)11-16-10-13-4-6-17-19(13)8-5-15/h4,6,9,16H,3,5,7-8,10-11H2,1-2H3
InChIKeyCAKZBCUUYQBOAA-UHFFFAOYSA-N
XLogP2.06
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(2-propylpyrazol-3-yl)methanamine
CID 122166952
N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-[2-(2-fluoroethyl)pyrazol-3-yl]methanamine
CID 122166741
N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-[2-(2-fluoroethyl)pyrazol-3-yl]methanamine;hydrochloride
CID 126965966
1-(2-ethylpyrazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 19625523
N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-(2-propylpyrazol-3-yl)methanamine
CID 122166954
N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-[2-(2-fluoroethyl)pyrazol-3-yl]methanamine
CID 122166846
1-(1-methylpyrazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 19625389
N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-(5-methyl-2-propylpyrazol-3-yl)methanamine;hydrochloride
CID 126965951
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-propylpyrazol-3-yl)methanamine;hydrochloride
CID 126965532
N-[(2-propylpyrazol-3-yl)methyl]hydroxylamine
CID 114556004
3-[[[2-(2-fluoroethyl)pyrazol-3-yl]methylamino]methyl]phenol
CID 122168551
3-[(2-propylpyrazol-3-yl)methylamino]propan-1-ol
CID 114554889

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoroethyl)pyrazol-3-yl]-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]methanamine?
The IUPAC name of 1-[2-(2-fluoroethyl)pyrazol-3-yl]-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]methanamine (CID 122167447) is 1-[2-(2-fluoroethyl)pyrazol-3-yl]-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-[2-(2-fluoroethyl)pyrazol-3-yl]-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-[2-(2-fluoroethyl)pyrazol-3-yl]-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]methanamine is CCCn1nc(C)cc1CNCc1ccnn1CCF.
What is the InChIKey of 1-[2-(2-fluoroethyl)pyrazol-3-yl]-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]methanamine?
The InChIKey is CAKZBCUUYQBOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN5/c1-3-7-20-14(9-12(2)18-20)11-16-10-13-4-6-17-19(13)8-5-15/h4,6,9,16H,3,5,7-8,10-11H2,1-2H3.
What are the key properties of 1-[2-(2-fluoroethyl)pyrazol-3-yl]-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]methanamine?
1-[2-(2-fluoroethyl)pyrazol-3-yl]-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]methanamine has a molecular weight of 279.36 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoroethyl)pyrazol-3-yl]-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]methanamine is sourced from PubChem (CID 122167447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).