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

C13H20FN5 — CID 122167162

IUPACN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine
SMILESCCn1cc(CNCc2cnn(CCF)c2)c(C)n1
InChIInChI=1S/C13H20FN5/c1-3-18-10-13(11(2)17-18)8-15-6-12-7-16-19(9-12)5-4-14/h7,9-10,15H,3-6,8H2,1-2H3
InChIKeyAYPHEHYJRGZZGT-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.67
Rot. Bonds7

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

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine (PubChem CID 122167162) has the molecular formula C13H20FN5 and a molecular weight of 265.34 g/mol. Its IUPAC name is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine
PubChem CID122167162
Molecular FormulaC13H20FN5
Molecular Weight265.34 g/mol
Exact Mass265.17
IUPAC NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine
SMILESCCn1cc(CNCc2cnn(CCF)c2)c(C)n1
InChIInChI=1S/C13H20FN5/c1-3-18-10-13(11(2)17-18)8-15-6-12-7-16-19(9-12)5-4-14/h7,9-10,15H,3-6,8H2,1-2H3
InChIKeyAYPHEHYJRGZZGT-UHFFFAOYSA-N
XLogP1.67
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine;hydrochloride
CID 126966572
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1-ethylpyrazol-4-yl)methanamine
CID 19625453
N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine;hydrochloride
CID 126966351
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126965255
N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)methanamine
CID 122169172
1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 126963926
N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine
CID 122166848
N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine;hydrochloride
CID 126968198
N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 122166526
1-(3,5-difluorophenyl)-N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]methanamine
CID 122168259
1-(2,3-difluorophenyl)-N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]methanamine;hydrochloride
CID 126967136

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine?
The IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine (CID 122167162) is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine.
What is the SMILES notation for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine?
The canonical SMILES for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine is CCn1cc(CNCc2cnn(CCF)c2)c(C)n1.
What is the InChIKey of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine?
The InChIKey is AYPHEHYJRGZZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN5/c1-3-18-10-13(11(2)17-18)8-15-6-12-7-16-19(9-12)5-4-14/h7,9-10,15H,3-6,8H2,1-2H3.
What are the key properties of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine?
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine has a molecular weight of 265.34 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 122167162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).