N-ethyl-1-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine

C16H22FN3 — CID 62732271

IUPACN-ethyl-1-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine
SMILESCCNC(C)c1c(C)nn(Cc2ccc(F)cc2)c1C
InChIInChI=1S/C16H22FN3/c1-5-18-11(2)16-12(3)19-20(13(16)4)10-14-6-8-15(17)9-7-14/h6-9,11,18H,5,10H2,1-4H3
InChIKeyVSWZBJZWQOIBQX-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.36
Rot. Bonds5

About N-ethyl-1-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine

N-ethyl-1-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine (PubChem CID 62732271) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is N-ethyl-1-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine
PubChem CID62732271
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC NameN-ethyl-1-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine
SMILESCCNC(C)c1c(C)nn(Cc2ccc(F)cc2)c1C
InChIInChI=1S/C16H22FN3/c1-5-18-11(2)16-12(3)19-20(13(16)4)10-14-6-8-15(17)9-7-14/h6-9,11,18H,5,10H2,1-4H3
InChIKeyVSWZBJZWQOIBQX-UHFFFAOYSA-N
XLogP3.36
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(2,5-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine
CID 62731555
2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine
CID 79224940
2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanoic acid
CID 63275185
N-ethyl-1-[1-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine
CID 62730637
1-(1-butyl-3,5-dimethylpyrazol-4-yl)-N-ethylethanamine
CID 62731001
1-[(4-fluorophenyl)methyl]-4-iodo-3,5-dimethylpyrazole
CID 79784476
1-[1-(2-ethoxyethyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine
CID 62730461
N-ethyl-2-(4-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105086774
[4-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenyl]methanol
CID 107230009
1-[3,5-dimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazol-4-yl]-N-ethylethanamine
CID 103014921
1-[1-[(2,6-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 114933991
4-(1-chloropropyl)-3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole
CID 63514750

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine?
The IUPAC name of N-ethyl-1-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine (CID 62732271) is N-ethyl-1-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine is CCNC(C)c1c(C)nn(Cc2ccc(F)cc2)c1C.
What is the InChIKey of N-ethyl-1-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine?
The InChIKey is VSWZBJZWQOIBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-5-18-11(2)16-12(3)19-20(13(16)4)10-14-6-8-15(17)9-7-14/h6-9,11,18H,5,10H2,1-4H3.
What are the key properties of N-ethyl-1-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine?
N-ethyl-1-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine has a molecular weight of 275.37 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine is sourced from PubChem (CID 62732271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).