1-(4-fluoro-2-methylphenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine

C16H22FN3O — CID 114659071

IUPAC1-(4-fluoro-2-methylphenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
SMILESCCCn1ncc(OC)c1C(NC)c1ccc(F)cc1C
InChIInChI=1S/C16H22FN3O/c1-5-8-20-16(14(21-4)10-19-20)15(18-3)13-7-6-12(17)9-11(13)2/h6-7,9-10,15,18H,5,8H2,1-4H3
InChIKeyBBIDRPWTIPDSOF-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.06
Rot. Bonds6

About 1-(4-fluoro-2-methylphenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine

1-(4-fluoro-2-methylphenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine (PubChem CID 114659071) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
PubChem CID114659071
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC Name1-(4-fluoro-2-methylphenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
SMILESCCCn1ncc(OC)c1C(NC)c1ccc(F)cc1C
InChIInChI=1S/C16H22FN3O/c1-5-8-20-16(14(21-4)10-19-20)15(18-3)13-7-6-12(17)9-11(13)2/h6-7,9-10,15,18H,5,8H2,1-4H3
InChIKeyBBIDRPWTIPDSOF-UHFFFAOYSA-N
XLogP3.06
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloro-4-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114650267
1-(2,4-dichlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105048863
1-(4-chloro-3-methylphenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105048904
1-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 81279266
1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 114647720
1-(4-methoxy-1-propylpyrazol-5-yl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105187148
1-(3-bromo-4-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114660093
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 114659063
1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine
CID 114651811
1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
CID 105048721
1-(4-chlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114646357
2-(3-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylethanamine
CID 114648297

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine (CID 114659071) is 1-(4-fluoro-2-methylphenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine is CCCn1ncc(OC)c1C(NC)c1ccc(F)cc1C.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine?
The InChIKey is BBIDRPWTIPDSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-5-8-20-16(14(21-4)10-19-20)15(18-3)13-7-6-12(17)9-11(13)2/h6-7,9-10,15,18H,5,8H2,1-4H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine?
1-(4-fluoro-2-methylphenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine has a molecular weight of 291.37 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 114659071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).