1-[1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine

C15H20FN3 — CID 66442394

IUPAC1-[1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1cnn(Cc2ccc(F)cc2)c1C(C)C
InChIInChI=1S/C15H20FN3/c1-11(2)15-13(8-17-3)9-18-19(15)10-12-4-6-14(16)7-5-12/h4-7,9,11,17H,8,10H2,1-3H3
InChIKeyATTYJIWYIZRERT-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.91
Rot. Bonds5

About 1-[1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine

1-[1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine (PubChem CID 66442394) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 1-[1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine
PubChem CID66442394
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name1-[1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1cnn(Cc2ccc(F)cc2)c1C(C)C
InChIInChI=1S/C15H20FN3/c1-11(2)15-13(8-17-3)9-18-19(15)10-12-4-6-14(16)7-5-12/h4-7,9,11,17H,8,10H2,1-3H3
InChIKeyATTYJIWYIZRERT-UHFFFAOYSA-N
XLogP2.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine (CID 66442394) is 1-[1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine is CNCc1cnn(Cc2ccc(F)cc2)c1C(C)C.
What is the InChIKey of 1-[1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine?
The InChIKey is ATTYJIWYIZRERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-11(2)15-13(8-17-3)9-18-19(15)10-12-4-6-14(16)7-5-12/h4-7,9,11,17H,8,10H2,1-3H3.
What are the key properties of 1-[1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine?
1-[1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine has a molecular weight of 261.34 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 66442394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).