N-[(4-methoxyphenyl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine

C14H19N3O — CID 71914760

IUPACN-[(4-methoxyphenyl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine
SMILESCOc1ccc(CNC(C)c2cn[nH]c2C)cc1
InChIInChI=1S/C14H19N3O/c1-10(14-9-16-17-11(14)2)15-8-12-4-6-13(18-3)7-5-12/h4-7,9-10,15H,8H2,1-3H3,(H,16,17)
InChIKeyANOZBVWVNLGIHZ-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.58
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine

N-[(4-methoxyphenyl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine (PubChem CID 71914760) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine
PubChem CID71914760
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine
SMILESCOc1ccc(CNC(C)c2cn[nH]c2C)cc1
InChIInChI=1S/C14H19N3O/c1-10(14-9-16-17-11(14)2)15-8-12-4-6-13(18-3)7-5-12/h4-7,9-10,15H,8H2,1-3H3,(H,16,17)
InChIKeyANOZBVWVNLGIHZ-UHFFFAOYSA-N
XLogP2.58
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-phenoxyphenyl)-1H-pyrazole
CID 2806138
4-(5-(4-Methoxyphenyl)-1H-pyrazol-3-yl)piperidine
CID 1486801
4-(4-methoxyphenyl)-3-methyl-1H-pyrazole
CID 2805464
3-(4-Methoxyphenyl)-1H-Pyrazole
CID 599984
3-(3-Methoxyphenyl)-1H-Pyrazole
CID 2736766
3,5-dimethyl-4-[3-(4-methylphenoxy)propyl]-1H-pyrazole
CID 2056430
2-cyano-N-cyclopropyl-3-[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]acrylamide
CID 840906
5-(4-Butoxy-phenyl)-1H-pyrazole
CID 10198293
5-(4-Butoxy-phenyl)-4-methyl-1H-pyrazole
CID 11322177
3-(4-Methoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 28750454
(2-Aminoethyl)(methyl) ({3-[4-(propan-2-yloxy)phenyl]-1h-pyrazol-4-yl}methyl)amine
CID 86303066
1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]piperazine
CID 117209971

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine (CID 71914760) is N-[(4-methoxyphenyl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine is COc1ccc(CNC(C)c2cn[nH]c2C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine?
The InChIKey is ANOZBVWVNLGIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(14-9-16-17-11(14)2)15-8-12-4-6-13(18-3)7-5-12/h4-7,9-10,15H,8H2,1-3H3,(H,16,17).
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine?
N-[(4-methoxyphenyl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine has a molecular weight of 245.33 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine is sourced from PubChem (CID 71914760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).