1-[(5-ethyl-1,4-dimethylpyrazol-3-yl)methyl]-4-(2-fluoroethyl)piperazine

C14H25FN4 — CID 142466752

IUPAC1-[(5-ethyl-1,4-dimethylpyrazol-3-yl)methyl]-4-(2-fluoroethyl)piperazine
SMILESCCc1c(C)c(CN2CCN(CCF)CC2)nn1C
InChIInChI=1S/C14H25FN4/c1-4-14-12(2)13(16-17(14)3)11-19-9-7-18(6-5-15)8-10-19/h4-11H2,1-3H3
InChIKeyVHJIRIWNVDWVNV-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.38
Rot. Bonds5

About 1-[(5-ethyl-1,4-dimethylpyrazol-3-yl)methyl]-4-(2-fluoroethyl)piperazine

1-[(5-ethyl-1,4-dimethylpyrazol-3-yl)methyl]-4-(2-fluoroethyl)piperazine (PubChem CID 142466752) has the molecular formula C14H25FN4 and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-[(5-ethyl-1,4-dimethylpyrazol-3-yl)methyl]-4-(2-fluoroethyl)piperazine.

Molecular Properties

Compound Name1-[(5-ethyl-1,4-dimethylpyrazol-3-yl)methyl]-4-(2-fluoroethyl)piperazine
PubChem CID142466752
Molecular FormulaC14H25FN4
Molecular Weight268.38 g/mol
Exact Mass268.21
IUPAC Name1-[(5-ethyl-1,4-dimethylpyrazol-3-yl)methyl]-4-(2-fluoroethyl)piperazine
SMILESCCc1c(C)c(CN2CCN(CCF)CC2)nn1C
InChIInChI=1S/C14H25FN4/c1-4-14-12(2)13(16-17(14)3)11-19-9-7-18(6-5-15)8-10-19/h4-11H2,1-3H3
InChIKeyVHJIRIWNVDWVNV-UHFFFAOYSA-N
XLogP1.38
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(trimethyl-1H-pyrazol-4-yl)methyl]piperazine
CID 6485353
1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazine
CID 7175809
3-(trimethyl-1H-pyrazol-4-yl)propan-1-amine
CID 6492154
1-[6-(cyclopropylmethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-N,N-dimethylmethanamine
CID 97405042
Cambridge id 6066293
CID 5347470
(3,5-diethyl-1-methyl-1H-pyrazol-4-yl)methanamine
CID 71757240
1,3,5-Trimethyl-4-propylpyrazole
CID 13792879
4-Butyl-1,3,5-trimethylpyrazole
CID 127012036
1-[(2,5-Dimethylpyrazol-3-yl)methyl]-4-(fluoromethyl)piperidine
CID 126790761
Pyrazole, 5-(2-methyl-2,3-butadienyl)-1,3,4-trimethyl-
CID 140239
1-Methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridine
CID 45096966
5-tert-butyl-1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 57559211

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-1,4-dimethylpyrazol-3-yl)methyl]-4-(2-fluoroethyl)piperazine?
The IUPAC name of 1-[(5-ethyl-1,4-dimethylpyrazol-3-yl)methyl]-4-(2-fluoroethyl)piperazine (CID 142466752) is 1-[(5-ethyl-1,4-dimethylpyrazol-3-yl)methyl]-4-(2-fluoroethyl)piperazine.
What is the SMILES notation for 1-[(5-ethyl-1,4-dimethylpyrazol-3-yl)methyl]-4-(2-fluoroethyl)piperazine?
The canonical SMILES for 1-[(5-ethyl-1,4-dimethylpyrazol-3-yl)methyl]-4-(2-fluoroethyl)piperazine is CCc1c(C)c(CN2CCN(CCF)CC2)nn1C.
What is the InChIKey of 1-[(5-ethyl-1,4-dimethylpyrazol-3-yl)methyl]-4-(2-fluoroethyl)piperazine?
The InChIKey is VHJIRIWNVDWVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FN4/c1-4-14-12(2)13(16-17(14)3)11-19-9-7-18(6-5-15)8-10-19/h4-11H2,1-3H3.
What are the key properties of 1-[(5-ethyl-1,4-dimethylpyrazol-3-yl)methyl]-4-(2-fluoroethyl)piperazine?
1-[(5-ethyl-1,4-dimethylpyrazol-3-yl)methyl]-4-(2-fluoroethyl)piperazine has a molecular weight of 268.38 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-1,4-dimethylpyrazol-3-yl)methyl]-4-(2-fluoroethyl)piperazine is sourced from PubChem (CID 142466752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).