1-(1-methylpyrazol-3-yl)-3-phenoxy-N-propylpropan-1-amine

C16H23N3O — CID 103130748

IUPAC1-(1-methylpyrazol-3-yl)-3-phenoxy-N-propylpropan-1-amine
SMILESCCCNC(CCOc1ccccc1)c1ccn(C)n1
InChIInChI=1S/C16H23N3O/c1-3-11-17-15(16-9-12-19(2)18-16)10-13-20-14-7-5-4-6-8-14/h4-9,12,15,17H,3,10-11,13H2,1-2H3
InChIKeySVZPIANUUSBLAP-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.93
Rot. Bonds8

About 1-(1-methylpyrazol-3-yl)-3-phenoxy-N-propylpropan-1-amine

1-(1-methylpyrazol-3-yl)-3-phenoxy-N-propylpropan-1-amine (PubChem CID 103130748) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)-3-phenoxy-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)-3-phenoxy-N-propylpropan-1-amine
PubChem CID103130748
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-(1-methylpyrazol-3-yl)-3-phenoxy-N-propylpropan-1-amine
SMILESCCCNC(CCOc1ccccc1)c1ccn(C)n1
InChIInChI=1S/C16H23N3O/c1-3-11-17-15(16-9-12-19(2)18-16)10-13-20-14-7-5-4-6-8-14/h4-9,12,15,17H,3,10-11,13H2,1-2H3
InChIKeySVZPIANUUSBLAP-UHFFFAOYSA-N
XLogP2.93
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-1-amine
CID 103035714
4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpent-4-en-1-amine
CID 114474920
N-ethyl-1-(1-methylpyrazol-3-yl)-3-propoxypropan-1-amine
CID 103134564
4-ethylsulfonyl-1-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine
CID 65200338
1-(1-methylpyrazol-3-yl)-N-propylhex-5-en-1-amine
CID 65197711
N-[1,2-bis(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 82876021
1-(1-methylpyrazol-3-yl)-N-propylpent-3-yn-1-amine
CID 65198238
N-[2-(furan-2-yl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 83174760
1-(5-methyl-3-pyridinyl)-3-phenoxy-N-propylpropan-1-amine
CID 115374230
N-[2-tert-butylsulfanyl-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 103130904
4-methoxy-1-(1-phenylpyrazol-3-yl)-N-propylbutan-1-amine
CID 105190345
N-[(1-methylpyrazol-3-yl)-pyrimidin-2-ylmethyl]propan-1-amine
CID 103130771

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)-3-phenoxy-N-propylpropan-1-amine?
The IUPAC name of 1-(1-methylpyrazol-3-yl)-3-phenoxy-N-propylpropan-1-amine (CID 103130748) is 1-(1-methylpyrazol-3-yl)-3-phenoxy-N-propylpropan-1-amine.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)-3-phenoxy-N-propylpropan-1-amine?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)-3-phenoxy-N-propylpropan-1-amine is CCCNC(CCOc1ccccc1)c1ccn(C)n1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)-3-phenoxy-N-propylpropan-1-amine?
The InChIKey is SVZPIANUUSBLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-11-17-15(16-9-12-19(2)18-16)10-13-20-14-7-5-4-6-8-14/h4-9,12,15,17H,3,10-11,13H2,1-2H3.
What are the key properties of 1-(1-methylpyrazol-3-yl)-3-phenoxy-N-propylpropan-1-amine?
1-(1-methylpyrazol-3-yl)-3-phenoxy-N-propylpropan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-3-yl)-3-phenoxy-N-propylpropan-1-amine is sourced from PubChem (CID 103130748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).