1-ethyl-5-N-(4-methoxy-2-methylphenyl)-3-methylpyrazole-4,5-diamine

C14H20N4O — CID 66012072

IUPAC1-ethyl-5-N-(4-methoxy-2-methylphenyl)-3-methylpyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1Nc1ccc(OC)cc1C
InChIInChI=1S/C14H20N4O/c1-5-18-14(13(15)10(3)17-18)16-12-7-6-11(19-4)8-9(12)2/h6-8,16H,5,15H2,1-4H3
InChIKeyBAKTYNWMMQLOJW-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.85
Rot. Bonds4

About 1-ethyl-5-N-(4-methoxy-2-methylphenyl)-3-methylpyrazole-4,5-diamine

1-ethyl-5-N-(4-methoxy-2-methylphenyl)-3-methylpyrazole-4,5-diamine (PubChem CID 66012072) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-ethyl-5-N-(4-methoxy-2-methylphenyl)-3-methylpyrazole-4,5-diamine.

Molecular Properties

Compound Name1-ethyl-5-N-(4-methoxy-2-methylphenyl)-3-methylpyrazole-4,5-diamine
PubChem CID66012072
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name1-ethyl-5-N-(4-methoxy-2-methylphenyl)-3-methylpyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1Nc1ccc(OC)cc1C
InChIInChI=1S/C14H20N4O/c1-5-18-14(13(15)10(3)17-18)16-12-7-6-11(19-4)8-9(12)2/h6-8,16H,5,15H2,1-4H3
InChIKeyBAKTYNWMMQLOJW-UHFFFAOYSA-N
XLogP2.85
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-3-methoxybenzonitrile
CID 104847922
5-N-(3-bromo-4-methoxyphenyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66012288
2-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-5-fluorobenzonitrile
CID 82014680
5-N-[2-chloro-4-(trifluoromethyl)phenyl]-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66010914
5-N-[2-(difluoromethoxy)phenyl]-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66011635
3-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-3,4-diamine
CID 103078443
4-N-(4-methoxy-2-methylphenyl)-1H-pyrazole-4,5-diamine
CID 82237771
5-N-(2,5-dimethoxyphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66029467
4-amino-N-(4-methoxy-2-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66124203
4-N-(4-methoxy-2-methylphenyl)-2-propylpyrimidine-4,6-diamine
CID 80954632
5-N-(2,4-dibromo-5-methoxyphenyl)-3-methyl-1-propylpyrazole-4,5-diamine
CID 103410774
4,5-dichloro-N-(4-methoxy-2-methylphenyl)-2-methylaniline
CID 139788451

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-N-(4-methoxy-2-methylphenyl)-3-methylpyrazole-4,5-diamine?
The IUPAC name of 1-ethyl-5-N-(4-methoxy-2-methylphenyl)-3-methylpyrazole-4,5-diamine (CID 66012072) is 1-ethyl-5-N-(4-methoxy-2-methylphenyl)-3-methylpyrazole-4,5-diamine.
What is the SMILES notation for 1-ethyl-5-N-(4-methoxy-2-methylphenyl)-3-methylpyrazole-4,5-diamine?
The canonical SMILES for 1-ethyl-5-N-(4-methoxy-2-methylphenyl)-3-methylpyrazole-4,5-diamine is CCn1nc(C)c(N)c1Nc1ccc(OC)cc1C.
What is the InChIKey of 1-ethyl-5-N-(4-methoxy-2-methylphenyl)-3-methylpyrazole-4,5-diamine?
The InChIKey is BAKTYNWMMQLOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-5-18-14(13(15)10(3)17-18)16-12-7-6-11(19-4)8-9(12)2/h6-8,16H,5,15H2,1-4H3.
What are the key properties of 1-ethyl-5-N-(4-methoxy-2-methylphenyl)-3-methylpyrazole-4,5-diamine?
1-ethyl-5-N-(4-methoxy-2-methylphenyl)-3-methylpyrazole-4,5-diamine has a molecular weight of 260.34 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-N-(4-methoxy-2-methylphenyl)-3-methylpyrazole-4,5-diamine is sourced from PubChem (CID 66012072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).