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

C14H19N3O2 — CID 43435343

IUPAC1-(3,4-dimethoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
SMILESCOc1ccc(CNCc2cn[nH]c2C)cc1OC
InChIInChI=1S/C14H19N3O2/c1-10-12(9-16-17-10)8-15-7-11-4-5-13(18-2)14(6-11)19-3/h4-6,9,15H,7-8H2,1-3H3,(H,16,17)
InChIKeyIGKGMWHEBZXEBE-UHFFFAOYSA-N
MW261.33 g/mol
LogP2.03
Rot. Bonds6

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

1-(3,4-dimethoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine (PubChem CID 43435343) has the molecular formula C14H19N3O2 and a molecular weight of 261.33 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
PubChem CID43435343
Molecular FormulaC14H19N3O2
Molecular Weight261.33 g/mol
Exact Mass261.15
IUPAC Name1-(3,4-dimethoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
SMILESCOc1ccc(CNCc2cn[nH]c2C)cc1OC
InChIInChI=1S/C14H19N3O2/c1-10-12(9-16-17-10)8-15-7-11-4-5-13(18-2)14(6-11)19-3/h4-6,9,15H,7-8H2,1-3H3,(H,16,17)
InChIKeyIGKGMWHEBZXEBE-UHFFFAOYSA-N
XLogP2.03
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 52.03
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
2-(3,4-dimethoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43663455
1-(3-chloro-4-methoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 65021379
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine
CID 60762142
1-[4-(methoxymethyl)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine;hydrochloride
CID 86808500
2-(4-methoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine;hydrochloride
CID 132891753
1-(3,4-dimethoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine;hydrochloride
CID 47008110
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 737219
1-(3,4-dimethoxyphenyl)-N-[(2,6-dimethylphenyl)methyl]methanamine
CID 81318644
2-[(3,4-dimethoxyphenyl)methyl]-1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine
CID 111042637
1-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 62759037
CID 11303039
CID 11303039

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine (CID 43435343) is 1-(3,4-dimethoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine is COc1ccc(CNCc2cn[nH]c2C)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
The InChIKey is IGKGMWHEBZXEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10-12(9-16-17-10)8-15-7-11-4-5-13(18-2)14(6-11)19-3/h4-6,9,15H,7-8H2,1-3H3,(H,16,17).
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
1-(3,4-dimethoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine has a molecular weight of 261.33 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 43435343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).