1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethane-1,2-diamine

C13H18N4O — CID 170894623

IUPAC1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethane-1,2-diamine
SMILESCOc1ccc(-n2ncc(C(N)CN)c2C)cc1
InChIInChI=1S/C13H18N4O/c1-9-12(13(15)7-14)8-16-17(9)10-3-5-11(18-2)6-4-10/h3-6,8,13H,7,14-15H2,1-2H3
InChIKeyAKPXASHDHLYBKY-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.15
Rot. Bonds4

About 1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethane-1,2-diamine

1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethane-1,2-diamine (PubChem CID 170894623) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethane-1,2-diamine
PubChem CID170894623
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethane-1,2-diamine
SMILESCOc1ccc(-n2ncc(C(N)CN)c2C)cc1
InChIInChI=1S/C13H18N4O/c1-9-12(13(15)7-14)8-16-17(9)10-3-5-11(18-2)6-4-10/h3-6,8,13H,7,14-15H2,1-2H3
InChIKeyAKPXASHDHLYBKY-UHFFFAOYSA-N
XLogP1.15
TPSA79.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]propan-1-ol;hydrochloride
CID 170892802
[5-bromo-1-(4-methoxyphenyl)pyrazol-4-yl]methanamine
CID 115051853
2-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]propan-2-ol
CID 82527913
2-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethanol
CID 105490895
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-methoxybenzenesulfonamide
CID 42955226
(1R)-1-(5-methoxy-2-methylphenyl)ethane-1,2-diamine
CID 130648897
(1S)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 25277206
5-[[[(1R)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 42119173
5-ethyl-1-(4-methoxyphenyl)pyrazol-4-amine
CID 66441037
1-[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]-N-methylethanamine
CID 107958317
(1S)-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethanamine
CID 42525871
(1R)-N-(1H-indol-2-ylmethyl)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethanamine
CID 31134134

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethane-1,2-diamine?
The IUPAC name of 1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethane-1,2-diamine (CID 170894623) is 1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethane-1,2-diamine.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethane-1,2-diamine?
The canonical SMILES for 1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethane-1,2-diamine is COc1ccc(-n2ncc(C(N)CN)c2C)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethane-1,2-diamine?
The InChIKey is AKPXASHDHLYBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9-12(13(15)7-14)8-16-17(9)10-3-5-11(18-2)6-4-10/h3-6,8,13H,7,14-15H2,1-2H3.
What are the key properties of 1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethane-1,2-diamine?
1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethane-1,2-diamine has a molecular weight of 246.31 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 170894623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).