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

C13H20FN5 — CID 122166952

IUPACN-[[2-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(2-propylpyrazol-3-yl)methanamine
SMILESCCCn1nccc1CNCc1ccnn1CCF
InChIInChI=1S/C13H20FN5/c1-2-8-18-12(3-6-16-18)10-15-11-13-4-7-17-19(13)9-5-14/h3-4,6-7,15H,2,5,8-11H2,1H3
InChIKeyWDOKSTPTMVQXAS-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.75
Rot. Bonds8

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

N-[[2-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(2-propylpyrazol-3-yl)methanamine (PubChem CID 122166952) has the molecular formula C13H20FN5 and a molecular weight of 265.34 g/mol. Its IUPAC name is N-[[2-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(2-propylpyrazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[[2-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(2-propylpyrazol-3-yl)methanamine
PubChem CID122166952
Molecular FormulaC13H20FN5
Molecular Weight265.34 g/mol
Exact Mass265.17
IUPAC NameN-[[2-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(2-propylpyrazol-3-yl)methanamine
SMILESCCCn1nccc1CNCc1ccnn1CCF
InChIInChI=1S/C13H20FN5/c1-2-8-18-12(3-6-16-18)10-15-11-13-4-7-17-19(13)9-5-14/h3-4,6-7,15H,2,5,8-11H2,1H3
InChIKeyWDOKSTPTMVQXAS-UHFFFAOYSA-N
XLogP1.75
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-fluoroethyl)pyrazol-3-yl]-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]methanamine
CID 122167447
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-[(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
N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-[2-(2-fluoroethyl)pyrazol-3-yl]methanamine
CID 122166846
N-[(2-propylpyrazol-3-yl)methyl]hydroxylamine
CID 114556004
1-(1-methylpyrazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 19625389
3-[(2-propylpyrazol-3-yl)methylamino]propan-1-ol
CID 114554889
2-methyl-N-[(2-propylpyrazol-3-yl)methyl]prop-2-en-1-amine
CID 114615846
4,4,4-trifluoro-N-[(2-propylpyrazol-3-yl)methyl]butan-1-amine
CID 114555990
5-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
CID 107316767

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(2-propylpyrazol-3-yl)methanamine?
The IUPAC name of N-[[2-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(2-propylpyrazol-3-yl)methanamine (CID 122166952) is N-[[2-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(2-propylpyrazol-3-yl)methanamine.
What is the SMILES notation for N-[[2-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(2-propylpyrazol-3-yl)methanamine?
The canonical SMILES for N-[[2-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(2-propylpyrazol-3-yl)methanamine is CCCn1nccc1CNCc1ccnn1CCF.
What is the InChIKey of N-[[2-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(2-propylpyrazol-3-yl)methanamine?
The InChIKey is WDOKSTPTMVQXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN5/c1-2-8-18-12(3-6-16-18)10-15-11-13-4-7-17-19(13)9-5-14/h3-4,6-7,15H,2,5,8-11H2,1H3.
What are the key properties of N-[[2-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(2-propylpyrazol-3-yl)methanamine?
N-[[2-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(2-propylpyrazol-3-yl)methanamine has a molecular weight of 265.34 g/mol, XLogP of 1.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(2-propylpyrazol-3-yl)methanamine is sourced from PubChem (CID 122166952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).