N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-(2-propylpyrazol-3-yl)methanamine

C13H20FN5 — CID 122166954

IUPACN-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-(2-propylpyrazol-3-yl)methanamine
SMILESCCCn1nccc1CNCc1cnn(CCF)c1
InChIInChI=1S/C13H20FN5/c1-2-6-19-13(3-5-16-19)10-15-8-12-9-17-18(11-12)7-4-14/h3,5,9,11,15H,2,4,6-8,10H2,1H3
InChIKeyCNBOMEBAYUJSRO-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.75
Rot. Bonds8

About N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-(2-propylpyrazol-3-yl)methanamine

N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-(2-propylpyrazol-3-yl)methanamine (PubChem CID 122166954) has the molecular formula C13H20FN5 and a molecular weight of 265.34 g/mol. Its IUPAC name is N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-(2-propylpyrazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-(2-propylpyrazol-3-yl)methanamine
PubChem CID122166954
Molecular FormulaC13H20FN5
Molecular Weight265.34 g/mol
Exact Mass265.17
IUPAC NameN-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-(2-propylpyrazol-3-yl)methanamine
SMILESCCCn1nccc1CNCc1cnn(CCF)c1
InChIInChI=1S/C13H20FN5/c1-2-6-19-13(3-5-16-19)10-15-8-12-9-17-18(11-12)7-4-14/h3,5,9,11,15H,2,4,6-8,10H2,1H3
InChIKeyCNBOMEBAYUJSRO-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

N-[[2-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(2-propylpyrazol-3-yl)methanamine
CID 122166952
N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-(2-methylpyrazol-3-yl)methanamine;hydrochloride
CID 126963928
1-(2-methylpyrazol-3-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 103674015
1-(2-ethylpyrazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 19625523
1-[2-(2-fluoroethyl)pyrazol-3-yl]-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]methanamine
CID 122167447
N-[(1-ethylpyrazol-4-yl)methyl]-1-[2-(2-methylpropyl)pyrazol-3-yl]methanamine;hydrochloride
CID 126964634
1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 122166526
1-(6-methoxy-3-pyridinyl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 114554886
1-phenyl-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126966319
1-(3,5-difluorophenyl)-N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]methanamine
CID 122168259
N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine
CID 122166848

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-(2-propylpyrazol-3-yl)methanamine?
The IUPAC name of N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-(2-propylpyrazol-3-yl)methanamine (CID 122166954) is N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-(2-propylpyrazol-3-yl)methanamine.
What is the SMILES notation for N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-(2-propylpyrazol-3-yl)methanamine?
The canonical SMILES for N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-(2-propylpyrazol-3-yl)methanamine is CCCn1nccc1CNCc1cnn(CCF)c1.
What is the InChIKey of N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-(2-propylpyrazol-3-yl)methanamine?
The InChIKey is CNBOMEBAYUJSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN5/c1-2-6-19-13(3-5-16-19)10-15-8-12-9-17-18(11-12)7-4-14/h3,5,9,11,15H,2,4,6-8,10H2,1H3.
What are the key properties of N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-(2-propylpyrazol-3-yl)methanamine?
N-[[1-(2-fluoroethyl)pyrazol-4-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-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-(2-propylpyrazol-3-yl)methanamine is sourced from PubChem (CID 122166954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).