1-(1-ethylpyrazol-4-yl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylmethanamine

C17H20FN5 — CID 56909472

IUPAC1-(1-ethylpyrazol-4-yl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylmethanamine
SMILESCCn1cc(CN(C)Cc2cnn(-c3ccc(F)cc3)c2)cn1
InChIInChI=1S/C17H20FN5/c1-3-22-12-14(8-19-22)10-21(2)11-15-9-20-23(13-15)17-6-4-16(18)5-7-17/h4-9,12-13H,3,10-11H2,1-2H3
InChIKeyURHMZZXELSYQMC-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.86
Rot. Bonds6

About 1-(1-ethylpyrazol-4-yl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylmethanamine

1-(1-ethylpyrazol-4-yl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylmethanamine (PubChem CID 56909472) has the molecular formula C17H20FN5 and a molecular weight of 313.38 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylmethanamine
PubChem CID56909472
Molecular FormulaC17H20FN5
Molecular Weight313.38 g/mol
Exact Mass313.17
IUPAC Name1-(1-ethylpyrazol-4-yl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylmethanamine
SMILESCCn1cc(CN(C)Cc2cnn(-c3ccc(F)cc3)c2)cn1
InChIInChI=1S/C17H20FN5/c1-3-22-12-14(8-19-22)10-21(2)11-15-9-20-23(13-15)17-6-4-16(18)5-7-17/h4-9,12-13H,3,10-11H2,1-2H3
InChIKeyURHMZZXELSYQMC-UHFFFAOYSA-N
XLogP2.86
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylmethanamine?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylmethanamine (CID 56909472) is 1-(1-ethylpyrazol-4-yl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylmethanamine?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylmethanamine is CCn1cc(CN(C)Cc2cnn(-c3ccc(F)cc3)c2)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylmethanamine?
The InChIKey is URHMZZXELSYQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5/c1-3-22-12-14(8-19-22)10-21(2)11-15-9-20-23(13-15)17-6-4-16(18)5-7-17/h4-9,12-13H,3,10-11H2,1-2H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylmethanamine?
1-(1-ethylpyrazol-4-yl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylmethanamine has a molecular weight of 313.38 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylmethanamine is sourced from PubChem (CID 56909472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).