N-[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]ethanamine

C20H30FN5 — CID 42876351

IUPACN-[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1c(CC)nn(-c2ccc(F)cc2)c1N1CCN(CC)CC1
InChIInChI=1S/C20H30FN5/c1-4-19-18(15-22-5-2)20(25-13-11-24(6-3)12-14-25)26(23-19)17-9-7-16(21)8-10-17/h7-10,22H,4-6,11-15H2,1-3H3
InChIKeyIWNLJMRJBNVZMQ-UHFFFAOYSA-N
MW359.49 g/mol
LogP2.83
Rot. Bonds7

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

N-[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]ethanamine (PubChem CID 42876351) has the molecular formula C20H30FN5 and a molecular weight of 359.49 g/mol. Its IUPAC name is N-[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]ethanamine
PubChem CID42876351
Molecular FormulaC20H30FN5
Molecular Weight359.49 g/mol
Exact Mass359.25
IUPAC NameN-[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1c(CC)nn(-c2ccc(F)cc2)c1N1CCN(CC)CC1
InChIInChI=1S/C20H30FN5/c1-4-19-18(15-22-5-2)20(25-13-11-24(6-3)12-14-25)26(23-19)17-9-7-16(21)8-10-17/h7-10,22H,4-6,11-15H2,1-3H3
InChIKeyIWNLJMRJBNVZMQ-UHFFFAOYSA-N
XLogP2.83
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 42689954
N-[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-(pyridin-2-ylmethyl)ethanamine
CID 42878090
N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-[(4-fluorophenyl)methyl]propan-2-amine
CID 42878063
(2R)-2-chloro-N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(2-methylpropyl)propanamide
CID 93009284
3-butyl-1-[[3-ethyl-1-(4-fluorophenyl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazol-4-yl]methyl]-1-propylurea
CID 46080784
N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazol-4-yl]methyl]-3,3-dimethyl-N-propylbutanamide
CID 46080667
N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazol-4-yl]methyl]-4-methyl-N-propylbenzamide
CID 46080661
N-[(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methyl]ethanamine
CID 43280293
N-[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-phenylpyrazol-4-yl]methyl]-N-(pyridin-2-ylmethyl)propan-2-amine
CID 42878167
5-(4-ethylpiperazin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109186778
3-(4-ethoxyphenyl)-1-[[3-ethyl-1-(4-fluorophenyl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazol-4-yl]methyl]-1-propylurea
CID 46080786
4-[[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-phenylpyrazol-4-yl]methyl-propylamino]methyl]benzene-1,2-diol
CID 42878180

Frequently Asked Questions

What is the IUPAC name of N-[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]ethanamine (CID 42876351) is N-[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]ethanamine is CCNCc1c(CC)nn(-c2ccc(F)cc2)c1N1CCN(CC)CC1.
What is the InChIKey of N-[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]ethanamine?
The InChIKey is IWNLJMRJBNVZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN5/c1-4-19-18(15-22-5-2)20(25-13-11-24(6-3)12-14-25)26(23-19)17-9-7-16(21)8-10-17/h7-10,22H,4-6,11-15H2,1-3H3.
What are the key properties of N-[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]ethanamine?
N-[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]ethanamine has a molecular weight of 359.49 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 42876351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).