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

C16H23N3O2 — CID 86776395

IUPAC1-(3-methoxy-4-propoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
SMILESCCCOc1ccc(CNCc2cn[nH]c2C)cc1OC
InChIInChI=1S/C16H23N3O2/c1-4-7-21-15-6-5-13(8-16(15)20-3)9-17-10-14-11-18-19-12(14)2/h5-6,8,11,17H,4,7,9-10H2,1-3H3,(H,18,19)
InChIKeyAXSZXPWXCICPAS-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.81
Rot. Bonds8

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

1-(3-methoxy-4-propoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine (PubChem CID 86776395) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(3-methoxy-4-propoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-methoxy-4-propoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
PubChem CID86776395
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-(3-methoxy-4-propoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
SMILESCCCOc1ccc(CNCc2cn[nH]c2C)cc1OC
InChIInChI=1S/C16H23N3O2/c1-4-7-21-15-6-5-13(8-16(15)20-3)9-17-10-14-11-18-19-12(14)2/h5-6,8,11,17H,4,7,9-10H2,1-3H3,(H,18,19)
InChIKeyAXSZXPWXCICPAS-UHFFFAOYSA-N
XLogP2.81
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 43435343
1-(3-chloro-4-methoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 65021379
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxy-4-propoxyphenyl)methanamine
CID 86808625
N-[(3-methoxy-4-propoxyphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 29225928
2-(3,4-dimethoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43663455
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine
CID 60762142
1-(3-methoxy-4-propoxyphenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine
CID 154752265
N-[(3-methoxy-4-propoxyphenyl)methyl]-N',N'-dimethylbutane-1,4-diamine
CID 82364755
1-(3-methoxy-4-propoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 29225975
2-[(3-methoxy-4-propoxyphenyl)methylamino]ethanol
CID 29225754
2-(4-fluorophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]ethanamine
CID 29225866
N-(furan-2-ylmethyl)-1-(3-methoxy-4-propoxyphenyl)methanamine
CID 29225923

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-propoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(3-methoxy-4-propoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine (CID 86776395) is 1-(3-methoxy-4-propoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-methoxy-4-propoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(3-methoxy-4-propoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine is CCCOc1ccc(CNCc2cn[nH]c2C)cc1OC.
What is the InChIKey of 1-(3-methoxy-4-propoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
The InChIKey is AXSZXPWXCICPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-7-21-15-6-5-13(8-16(15)20-3)9-17-10-14-11-18-19-12(14)2/h5-6,8,11,17H,4,7,9-10H2,1-3H3,(H,18,19).
What are the key properties of 1-(3-methoxy-4-propoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
1-(3-methoxy-4-propoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine has a molecular weight of 289.38 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-propoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 86776395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).