N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxy-4-propoxyphenyl)methanamine

C17H25N3O2 — CID 86808625

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxy-4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(CNCc2c(C)n[nH]c2C)cc1OC
InChIInChI=1S/C17H25N3O2/c1-5-8-22-16-7-6-14(9-17(16)21-4)10-18-11-15-12(2)19-20-13(15)3/h6-7,9,18H,5,8,10-11H2,1-4H3,(H,19,20)
InChIKeyYIICGTOPTZZOKY-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.11
Rot. Bonds8

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxy-4-propoxyphenyl)methanamine

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxy-4-propoxyphenyl)methanamine (PubChem CID 86808625) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxy-4-propoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxy-4-propoxyphenyl)methanamine
PubChem CID86808625
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxy-4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(CNCc2c(C)n[nH]c2C)cc1OC
InChIInChI=1S/C17H25N3O2/c1-5-8-22-16-7-6-14(9-17(16)21-4)10-18-11-15-12(2)19-20-13(15)3/h6-7,9,18H,5,8,10-11H2,1-4H3,(H,19,20)
InChIKeyYIICGTOPTZZOKY-UHFFFAOYSA-N
XLogP3.11
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxy-4-propoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 86776395
N-[(3-methoxy-4-propoxyphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 29225928
1-(diethylamino)-3-[4-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]methyl]-2-methoxyphenoxy]propan-2-ol
CID 45229922
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
CID 43644985
1-(3-methoxy-4-propoxyphenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine
CID 154752265
1-(3-methoxy-4-propoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 29225975
2-[(3-methoxy-4-propoxyphenyl)methylamino]ethanol
CID 29225754
N-[(3-methoxy-4-propoxyphenyl)methyl]-N',N'-dimethylbutane-1,4-diamine
CID 82364755
2-(4-fluorophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]ethanamine
CID 29225866
N-(furan-2-ylmethyl)-1-(3-methoxy-4-propoxyphenyl)methanamine
CID 29225923
1-[(3-methoxy-4-propoxyphenyl)methylamino]-2-methylpropan-2-ol
CID 110932531
3-(3,5-dimethylpyrazol-1-yl)-N-[(3-methoxy-4-propoxyphenyl)methyl]propan-1-amine
CID 78804390

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxy-4-propoxyphenyl)methanamine?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxy-4-propoxyphenyl)methanamine (CID 86808625) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxy-4-propoxyphenyl)methanamine.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxy-4-propoxyphenyl)methanamine?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxy-4-propoxyphenyl)methanamine is CCCOc1ccc(CNCc2c(C)n[nH]c2C)cc1OC.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxy-4-propoxyphenyl)methanamine?
The InChIKey is YIICGTOPTZZOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-5-8-22-16-7-6-14(9-17(16)21-4)10-18-11-15-12(2)19-20-13(15)3/h6-7,9,18H,5,8,10-11H2,1-4H3,(H,19,20).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxy-4-propoxyphenyl)methanamine?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxy-4-propoxyphenyl)methanamine has a molecular weight of 303.41 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxy-4-propoxyphenyl)methanamine is sourced from PubChem (CID 86808625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).