N-[[1-[(2,6-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]ethanamine

C15H19F2N3 — CID 114930880

IUPACN-[[1-[(2,6-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1c(C)nn(Cc2c(F)cccc2F)c1C
InChIInChI=1S/C15H19F2N3/c1-4-18-8-12-10(2)19-20(11(12)3)9-13-14(16)6-5-7-15(13)17/h5-7,18H,4,8-9H2,1-3H3
InChIKeyZFMDQZHJEGKLMB-UHFFFAOYSA-N
MW279.33 g/mol
LogP2.94
Rot. Bonds5

About N-[[1-[(2,6-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]ethanamine

N-[[1-[(2,6-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]ethanamine (PubChem CID 114930880) has the molecular formula C15H19F2N3 and a molecular weight of 279.33 g/mol. Its IUPAC name is N-[[1-[(2,6-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(2,6-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
PubChem CID114930880
Molecular FormulaC15H19F2N3
Molecular Weight279.33 g/mol
Exact Mass279.15
IUPAC NameN-[[1-[(2,6-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1c(C)nn(Cc2c(F)cccc2F)c1C
InChIInChI=1S/C15H19F2N3/c1-4-18-8-12-10(2)19-20(11(12)3)9-13-14(16)6-5-7-15(13)17/h5-7,18H,4,8-9H2,1-3H3
InChIKeyZFMDQZHJEGKLMB-UHFFFAOYSA-N
XLogP2.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(2,6-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 114930879
N-[[1-[(2,3-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]propan-1-amine
CID 43659086
3-[[4-(ethylaminomethyl)-3,5-dimethylpyrazol-1-yl]methyl]-4-fluorobenzonitrile
CID 43647744
N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
CID 43647767
N-[[3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 43647830
N-[[6-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-2-pyridinyl]methyl]ethanamine
CID 106907426
1-[1-[(2,6-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 114933991
N-[[1-(3-fluoropropyl)-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
CID 81113432
N-[[1-[(2-chloro-3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 115983311
N-[[3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 43647816
N-[[3-[(2,6-difluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
CID 114934374
N-[[2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]ethanamine
CID 62446746

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,6-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(2,6-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]ethanamine (CID 114930880) is N-[[1-[(2,6-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(2,6-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(2,6-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]ethanamine is CCNCc1c(C)nn(Cc2c(F)cccc2F)c1C.
What is the InChIKey of N-[[1-[(2,6-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]ethanamine?
The InChIKey is ZFMDQZHJEGKLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3/c1-4-18-8-12-10(2)19-20(11(12)3)9-13-14(16)6-5-7-15(13)17/h5-7,18H,4,8-9H2,1-3H3.
What are the key properties of N-[[1-[(2,6-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]ethanamine?
N-[[1-[(2,6-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]ethanamine has a molecular weight of 279.33 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,6-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 114930880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).