N-[(1,3-dimethylpyrazol-4-yl)-(4-propan-2-yloxyphenyl)methyl]ethanamine

C17H25N3O — CID 102803589

IUPACN-[(1,3-dimethylpyrazol-4-yl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC(C)C)cc1)c1cn(C)nc1C
InChIInChI=1S/C17H25N3O/c1-6-18-17(16-11-20(5)19-13(16)4)14-7-9-15(10-8-14)21-12(2)3/h7-12,17-18H,6H2,1-5H3
InChIKeyWYBCTJPYDIOVMC-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.21
Rot. Bonds6

About N-[(1,3-dimethylpyrazol-4-yl)-(4-propan-2-yloxyphenyl)methyl]ethanamine

N-[(1,3-dimethylpyrazol-4-yl)-(4-propan-2-yloxyphenyl)methyl]ethanamine (PubChem CID 102803589) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)-(4-propan-2-yloxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
PubChem CID102803589
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC(C)C)cc1)c1cn(C)nc1C
InChIInChI=1S/C17H25N3O/c1-6-18-17(16-11-20(5)19-13(16)4)14-7-9-15(10-8-14)21-12(2)3/h7-12,17-18H,6H2,1-5H3
InChIKeyWYBCTJPYDIOVMC-UHFFFAOYSA-N
XLogP3.21
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 43492161
N-[2,3-dihydro-1,4-benzodioxin-6-yl-(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 102803457
N-[(1,3-dimethylpyrazol-4-yl)-(3-fluorophenyl)methyl]ethanamine
CID 102803011
N-[(4-bromophenyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 43492153
N-[(1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethyl]ethanamine
CID 102803050
N-[(1,3-dimethylpyrazol-4-yl)-naphthalen-1-ylmethyl]ethanamine
CID 102803470
N-[(1,3-dimethylpyrazol-4-yl)-(2-propylpyrazol-3-yl)methyl]ethanamine
CID 102803704
N-[(1,3-dimethylpyrazol-4-yl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 102804517
N-[(2,5-dichlorothiophen-3-yl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 107960770
N-[(5-chlorothiophen-2-yl)-(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 102804284
N-[(4-methyl-2-pyridinyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 63841246
N-[(5-bromo-4-methylthiophen-2-yl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 79977353

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)-(4-propan-2-yloxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)-(4-propan-2-yloxyphenyl)methyl]ethanamine (CID 102803589) is N-[(1,3-dimethylpyrazol-4-yl)-(4-propan-2-yloxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)-(4-propan-2-yloxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)-(4-propan-2-yloxyphenyl)methyl]ethanamine is CCNC(c1ccc(OC(C)C)cc1)c1cn(C)nc1C.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)-(4-propan-2-yloxyphenyl)methyl]ethanamine?
The InChIKey is WYBCTJPYDIOVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-6-18-17(16-11-20(5)19-13(16)4)14-7-9-15(10-8-14)21-12(2)3/h7-12,17-18H,6H2,1-5H3.
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)-(4-propan-2-yloxyphenyl)methyl]ethanamine?
N-[(1,3-dimethylpyrazol-4-yl)-(4-propan-2-yloxyphenyl)methyl]ethanamine has a molecular weight of 287.41 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)-(4-propan-2-yloxyphenyl)methyl]ethanamine is sourced from PubChem (CID 102803589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).