2-[(1,3-diethylpyrazol-5-yl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine

C14H26FN3 — CID 112566711

IUPAC2-[(1,3-diethylpyrazol-5-yl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine
SMILESCCc1cc(CC(F)(CN)C(C)(C)C)n(CC)n1
InChIInChI=1S/C14H26FN3/c1-6-11-8-12(18(7-2)17-11)9-14(15,10-16)13(3,4)5/h8H,6-7,9-10,16H2,1-5H3
InChIKeyYRDIHWQCNRUFRR-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.72
Rot. Bonds5

About 2-[(1,3-diethylpyrazol-5-yl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine

2-[(1,3-diethylpyrazol-5-yl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine (PubChem CID 112566711) has the molecular formula C14H26FN3 and a molecular weight of 255.38 g/mol. Its IUPAC name is 2-[(1,3-diethylpyrazol-5-yl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-[(1,3-diethylpyrazol-5-yl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine
PubChem CID112566711
Molecular FormulaC14H26FN3
Molecular Weight255.38 g/mol
Exact Mass255.21
IUPAC Name2-[(1,3-diethylpyrazol-5-yl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine
SMILESCCc1cc(CC(F)(CN)C(C)(C)C)n(CC)n1
InChIInChI=1S/C14H26FN3/c1-6-11-8-12(18(7-2)17-11)9-14(15,10-16)13(3,4)5/h8H,6-7,9-10,16H2,1-5H3
InChIKeyYRDIHWQCNRUFRR-UHFFFAOYSA-N
XLogP2.72
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1,3-diethylpyrazol-5-yl)methyl]-2-methylpropane-1,3-diol
CID 79450356
3-amino-2-[(1,3-diethylpyrazol-5-yl)methyl]-2-methyl-3-oxopropanoic acid
CID 114899899
5-[2,2-bis(bromomethyl)butyl]-1,3-diethylpyrazole
CID 79455390
N'-[(1,3-diethylpyrazol-5-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79661919
1-[(1,3-diethylpyrazol-5-yl)methyl]-3,5-diethylpyrazole
CID 82699372
1-(1,3-diethylpyrazol-5-yl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
CID 114832715
2-cyclohexyl-1-(1,3-diethylpyrazol-5-yl)propan-2-ol
CID 114794994
2-[(1,3-diethylpyrazol-5-yl)methyl]-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 83150695
2-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-2-methylpropanoic acid
CID 83147790
1-chloro-3-(1,3-diethylpyrazol-5-yl)-1,1-difluoropropan-2-ol
CID 112575301
4-(1,3-diethylpyrazol-5-yl)-2,3-dimethylbutan-1-amine
CID 81013547
1-(1,3-diethylpyrazol-5-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
CID 114833280

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-diethylpyrazol-5-yl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine?
The IUPAC name of 2-[(1,3-diethylpyrazol-5-yl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine (CID 112566711) is 2-[(1,3-diethylpyrazol-5-yl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-[(1,3-diethylpyrazol-5-yl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine?
The canonical SMILES for 2-[(1,3-diethylpyrazol-5-yl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine is CCc1cc(CC(F)(CN)C(C)(C)C)n(CC)n1.
What is the InChIKey of 2-[(1,3-diethylpyrazol-5-yl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine?
The InChIKey is YRDIHWQCNRUFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26FN3/c1-6-11-8-12(18(7-2)17-11)9-14(15,10-16)13(3,4)5/h8H,6-7,9-10,16H2,1-5H3.
What are the key properties of 2-[(1,3-diethylpyrazol-5-yl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine?
2-[(1,3-diethylpyrazol-5-yl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine has a molecular weight of 255.38 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-diethylpyrazol-5-yl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 112566711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).