1-(1,5-dimethylpyrazol-4-yl)-N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]methanamine

C12H18FN5 — CID 122169167

IUPAC1-(1,5-dimethylpyrazol-4-yl)-N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]methanamine
SMILESCCn1ncc(CNCc2cnn(C)c2C)c1F
InChIInChI=1S/C12H18FN5/c1-4-18-12(13)11(8-16-18)6-14-5-10-7-15-17(3)9(10)2/h7-8,14H,4-6H2,1-3H3
InChIKeyCLXCESPCKFBLDB-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.37
Rot. Bonds5

About 1-(1,5-dimethylpyrazol-4-yl)-N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]methanamine

1-(1,5-dimethylpyrazol-4-yl)-N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]methanamine (PubChem CID 122169167) has the molecular formula C12H18FN5 and a molecular weight of 251.31 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)-N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)-N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]methanamine
PubChem CID122169167
Molecular FormulaC12H18FN5
Molecular Weight251.31 g/mol
Exact Mass251.15
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)-N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]methanamine
SMILESCCn1ncc(CNCc2cnn(C)c2C)c1F
InChIInChI=1S/C12H18FN5/c1-4-18-12(13)11(8-16-18)6-14-5-10-7-15-17(3)9(10)2/h7-8,14H,4-6H2,1-3H3
InChIKeyCLXCESPCKFBLDB-UHFFFAOYSA-N
XLogP1.37
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)methanamine
CID 122169172
N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(3-methyl-1-propylpyrazol-4-yl)methanamine;hydrochloride
CID 126967612
N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(2-ethylpyrazol-3-yl)methanamine
CID 122169168
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
CID 19618954
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1-ethylpyrazol-4-yl)methanamine
CID 19625453
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 103851304
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 113338388
N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-2-phenylethanamine
CID 122165910
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)methanamine;hydrochloride
CID 126964694
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 126964678
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethylsulfonylethanamine
CID 103851543
1-(2,3-dimethylphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 103859223

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]methanamine (CID 122169167) is 1-(1,5-dimethylpyrazol-4-yl)-N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)-N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)-N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]methanamine is CCn1ncc(CNCc2cnn(C)c2C)c1F.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)-N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]methanamine?
The InChIKey is CLXCESPCKFBLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN5/c1-4-18-12(13)11(8-16-18)6-14-5-10-7-15-17(3)9(10)2/h7-8,14H,4-6H2,1-3H3.
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)-N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]methanamine?
1-(1,5-dimethylpyrazol-4-yl)-N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]methanamine has a molecular weight of 251.31 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-4-yl)-N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 122169167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).