N-[[5-fluoro-2-(1-propylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine

C16H22FN3O — CID 116802309

IUPACN-[[5-fluoro-2-(1-propylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine
SMILESCCCn1cc(Oc2ccc(F)cc2CNC(C)C)cn1
InChIInChI=1S/C16H22FN3O/c1-4-7-20-11-15(10-19-20)21-16-6-5-14(17)8-13(16)9-18-12(2)3/h5-6,8,10-12,18H,4,7,9H2,1-3H3
InChIKeyBKMUWNYDTDRLQV-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.72
Rot. Bonds7

About N-[[5-fluoro-2-(1-propylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine

N-[[5-fluoro-2-(1-propylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine (PubChem CID 116802309) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is N-[[5-fluoro-2-(1-propylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-fluoro-2-(1-propylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine
PubChem CID116802309
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC NameN-[[5-fluoro-2-(1-propylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine
SMILESCCCn1cc(Oc2ccc(F)cc2CNC(C)C)cn1
InChIInChI=1S/C16H22FN3O/c1-4-7-20-11-15(10-19-20)21-16-6-5-14(17)8-13(16)9-18-12(2)3/h5-6,8,10-12,18H,4,7,9H2,1-3H3
InChIKeyBKMUWNYDTDRLQV-UHFFFAOYSA-N
XLogP3.72
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 116802111
N-[[4-(1-propylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine
CID 116802269
5-fluoro-2-(1-propylpyrazol-4-yl)oxybenzonitrile
CID 116801252
1-[5-chloro-2-(1-propylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine
CID 114857852
1-[2-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]propan-2-amine
CID 116804168
N-[[2-(3,5-dichlorophenoxy)-5-fluorophenyl]methyl]propan-2-amine
CID 43622055
4-[2-(chloromethyl)-4-methylphenoxy]-1-propylpyrazole
CID 114054833
N-[[6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-2-amine
CID 116802934
5-fluoro-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide
CID 116801547
N-[[1,3-dimethyl-5-(1-propylpyrazol-4-yl)oxypyrazol-4-yl]methyl]propan-2-amine
CID 116802238
N-[[5-fluoro-2-(3-methoxyphenoxy)phenyl]methyl]propan-2-amine
CID 43314159
1-[2-fluoro-6-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine
CID 116801704

Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-2-(1-propylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-fluoro-2-(1-propylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine (CID 116802309) is N-[[5-fluoro-2-(1-propylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-fluoro-2-(1-propylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-fluoro-2-(1-propylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine is CCCn1cc(Oc2ccc(F)cc2CNC(C)C)cn1.
What is the InChIKey of N-[[5-fluoro-2-(1-propylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine?
The InChIKey is BKMUWNYDTDRLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-4-7-20-11-15(10-19-20)21-16-6-5-14(17)8-13(16)9-18-12(2)3/h5-6,8,10-12,18H,4,7,9H2,1-3H3.
What are the key properties of N-[[5-fluoro-2-(1-propylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine?
N-[[5-fluoro-2-(1-propylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine has a molecular weight of 291.37 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-2-(1-propylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine is sourced from PubChem (CID 116802309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).