N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine

C15H21N3O3 — CID 60762142

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine
SMILESCOc1cc(OC)c(OC)cc1CNCc1cn[nH]c1C
InChIInChI=1S/C15H21N3O3/c1-10-12(9-17-18-10)8-16-7-11-5-14(20-3)15(21-4)6-13(11)19-2/h5-6,9,16H,7-8H2,1-4H3,(H,17,18)
InChIKeyZIEJKOLCVYLVLS-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.03
Rot. Bonds7

About N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine (PubChem CID 60762142) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine
PubChem CID60762142
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine
SMILESCOc1cc(OC)c(OC)cc1CNCc1cn[nH]c1C
InChIInChI=1S/C15H21N3O3/c1-10-12(9-17-18-10)8-16-7-11-5-14(20-3)15(21-4)6-13(11)19-2/h5-6,9,16H,7-8H2,1-4H3,(H,17,18)
InChIKeyZIEJKOLCVYLVLS-UHFFFAOYSA-N
XLogP2.03
TPSA68.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 43435343
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
1-(3-methoxy-4-propoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 86776395
N-[(2-methoxy-5-methylphenyl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine
CID 46823346
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine
CID 103700761
1-[4-(methoxymethyl)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine;hydrochloride
CID 86808500
3-fluoro-4-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 43663743
3-bromo-4-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 63998059
1-(2-bromo-5-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 54902511
1-(2-fluoro-5-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 103699779
2-methoxy-5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 61021799

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine (CID 60762142) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine is COc1cc(OC)c(OC)cc1CNCc1cn[nH]c1C.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine?
The InChIKey is ZIEJKOLCVYLVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10-12(9-17-18-10)8-16-7-11-5-14(20-3)15(21-4)6-13(11)19-2/h5-6,9,16H,7-8H2,1-4H3,(H,17,18).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine has a molecular weight of 291.35 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine is sourced from PubChem (CID 60762142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).