N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine

C12H18FN5 — CID 122166610

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine
SMILESCc1c(CNCc2cnn(CCF)c2)cnn1C
InChIInChI=1S/C12H18FN5/c1-10-12(8-15-17(10)2)7-14-5-11-6-16-18(9-11)4-3-13/h6,8-9,14H,3-5,7H2,1-2H3
InChIKeyLJJXVICEFNRMIJ-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.18
Rot. Bonds6

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine (PubChem CID 122166610) has the molecular formula C12H18FN5 and a molecular weight of 251.31 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine
PubChem CID122166610
Molecular FormulaC12H18FN5
Molecular Weight251.31 g/mol
Exact Mass251.15
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine
SMILESCc1c(CNCc2cnn(CCF)c2)cnn1C
InChIInChI=1S/C12H18FN5/c1-10-12(8-15-17(10)2)7-14-5-11-6-16-18(9-11)4-3-13/h6,8-9,14H,3-5,7H2,1-2H3
InChIKeyLJJXVICEFNRMIJ-UHFFFAOYSA-N
XLogP1.18
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine (CID 122166610) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine is Cc1c(CNCc2cnn(CCF)c2)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine?
The InChIKey is LJJXVICEFNRMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN5/c1-10-12(8-15-17(10)2)7-14-5-11-6-16-18(9-11)4-3-13/h6,8-9,14H,3-5,7H2,1-2H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine has a molecular weight of 251.31 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 122166610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).