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

C14H19ClN4O — CID 66015575

IUPAC5-N-(4-chloro-2-methoxy-5-methylphenyl)-3-ethyl-1-methylpyrazole-4,5-diamine
SMILESCCc1nn(C)c(Nc2cc(C)c(Cl)cc2OC)c1N
InChIInChI=1S/C14H19ClN4O/c1-5-10-13(16)14(19(3)18-10)17-11-6-8(2)9(15)7-12(11)20-4/h6-7,17H,5,16H2,1-4H3
InChIKeyWWSWCMZWUMOXRH-UHFFFAOYSA-N
MW294.79 g/mol
LogP3.28
Rot. Bonds4

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

5-N-(4-chloro-2-methoxy-5-methylphenyl)-3-ethyl-1-methylpyrazole-4,5-diamine (PubChem CID 66015575) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is 5-N-(4-chloro-2-methoxy-5-methylphenyl)-3-ethyl-1-methylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(4-chloro-2-methoxy-5-methylphenyl)-3-ethyl-1-methylpyrazole-4,5-diamine
PubChem CID66015575
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC Name5-N-(4-chloro-2-methoxy-5-methylphenyl)-3-ethyl-1-methylpyrazole-4,5-diamine
SMILESCCc1nn(C)c(Nc2cc(C)c(Cl)cc2OC)c1N
InChIInChI=1S/C14H19ClN4O/c1-5-10-13(16)14(19(3)18-10)17-11-6-8(2)9(15)7-12(11)20-4/h6-7,17H,5,16H2,1-4H3
InChIKeyWWSWCMZWUMOXRH-UHFFFAOYSA-N
XLogP3.28
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-(3-chloro-4-methoxyphenyl)-3-ethyl-1-methylpyrazole-4,5-diamine
CID 66015168
5-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-ethyl-1-methylpyrazole-4,5-diamine
CID 66016365
4-N-(4-chloro-2-methoxy-5-methylphenyl)-5-ethylpyrimidine-4,6-diamine
CID 80762859
5-N-[(2-chloro-6-methoxyphenyl)methyl]-3-ethyl-1-methylpyrazole-4,5-diamine
CID 103291780
4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66121054
4-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-4,5-diamine
CID 79915939
2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylpyridine-2,5-diamine
CID 79021315
5-N-(2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-4,5-diamine
CID 43554148
N-(4-chloro-2-methoxy-5-methylphenyl)-1,4-dimethylimidazol-2-amine
CID 106556111
4-N-(4-chloro-2-methoxy-5-methylphenyl)-5-propylpyrimidine-4,6-diamine
CID 80736789
5-N-(2,5-dichlorophenyl)-1-methyl-3-propylpyrazole-4,5-diamine
CID 66018253
4-chloro-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methoxy-5-methylaniline
CID 115884099

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-chloro-2-methoxy-5-methylphenyl)-3-ethyl-1-methylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(4-chloro-2-methoxy-5-methylphenyl)-3-ethyl-1-methylpyrazole-4,5-diamine (CID 66015575) is 5-N-(4-chloro-2-methoxy-5-methylphenyl)-3-ethyl-1-methylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(4-chloro-2-methoxy-5-methylphenyl)-3-ethyl-1-methylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(4-chloro-2-methoxy-5-methylphenyl)-3-ethyl-1-methylpyrazole-4,5-diamine is CCc1nn(C)c(Nc2cc(C)c(Cl)cc2OC)c1N.
What is the InChIKey of 5-N-(4-chloro-2-methoxy-5-methylphenyl)-3-ethyl-1-methylpyrazole-4,5-diamine?
The InChIKey is WWSWCMZWUMOXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O/c1-5-10-13(16)14(19(3)18-10)17-11-6-8(2)9(15)7-12(11)20-4/h6-7,17H,5,16H2,1-4H3.
What are the key properties of 5-N-(4-chloro-2-methoxy-5-methylphenyl)-3-ethyl-1-methylpyrazole-4,5-diamine?
5-N-(4-chloro-2-methoxy-5-methylphenyl)-3-ethyl-1-methylpyrazole-4,5-diamine has a molecular weight of 294.79 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-chloro-2-methoxy-5-methylphenyl)-3-ethyl-1-methylpyrazole-4,5-diamine is sourced from PubChem (CID 66015575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).