5-N-[(2-chloro-6-methoxyphenyl)methyl]-3-ethyl-1-methylpyrazole-4,5-diamine

C14H19ClN4O — CID 103291780

IUPAC5-N-[(2-chloro-6-methoxyphenyl)methyl]-3-ethyl-1-methylpyrazole-4,5-diamine
SMILESCCc1nn(C)c(NCc2c(Cl)cccc2OC)c1N
InChIInChI=1S/C14H19ClN4O/c1-4-11-13(16)14(19(2)18-11)17-8-9-10(15)6-5-7-12(9)20-3/h5-7,17H,4,8,16H2,1-3H3
InChIKeyZDMJJCXURRULRR-UHFFFAOYSA-N
MW294.79 g/mol
LogP2.84
Rot. Bonds5

About 5-N-[(2-chloro-6-methoxyphenyl)methyl]-3-ethyl-1-methylpyrazole-4,5-diamine

5-N-[(2-chloro-6-methoxyphenyl)methyl]-3-ethyl-1-methylpyrazole-4,5-diamine (PubChem CID 103291780) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is 5-N-[(2-chloro-6-methoxyphenyl)methyl]-3-ethyl-1-methylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-[(2-chloro-6-methoxyphenyl)methyl]-3-ethyl-1-methylpyrazole-4,5-diamine
PubChem CID103291780
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC Name5-N-[(2-chloro-6-methoxyphenyl)methyl]-3-ethyl-1-methylpyrazole-4,5-diamine
SMILESCCc1nn(C)c(NCc2c(Cl)cccc2OC)c1N
InChIInChI=1S/C14H19ClN4O/c1-4-11-13(16)14(19(2)18-11)17-8-9-10(15)6-5-7-12(9)20-3/h5-7,17H,4,8,16H2,1-3H3
InChIKeyZDMJJCXURRULRR-UHFFFAOYSA-N
XLogP2.84
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-dimethylpyrazole-4,5-diamine
CID 103291777
5-N-(3-chloro-4-methoxyphenyl)-3-ethyl-1-methylpyrazole-4,5-diamine
CID 66015168
5-N-[(2-chloro-6-methoxyphenyl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103366044
3-ethyl-5-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-4,5-diamine
CID 66016747
N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-dimethylpyrazol-4-amine
CID 104954500
5-N-(4-chloro-2-methoxy-5-methylphenyl)-3-ethyl-1-methylpyrazole-4,5-diamine
CID 66015575
3-ethyl-1-methyl-5-N-[(4-methylphenyl)methyl]pyrazole-4,5-diamine
CID 66014364
6-N-[(2-chloro-6-methoxyphenyl)methyl]-2-N-methylpyridine-2,6-diamine
CID 103293605
N-[(2-chloro-6-methoxyphenyl)methyl]-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 103293681
3-ethyl-5-N-[(5-ethylthiophen-2-yl)methyl]-1-methylpyrazole-4,5-diamine
CID 106007265
5-(2-chlorophenoxy)-3-ethyl-1-methylpyrazol-4-amine
CID 66015459
5-N-[2-(2-methoxyphenyl)ethyl]-1-methyl-3-propylpyrazole-4,5-diamine
CID 106259807

Frequently Asked Questions

What is the IUPAC name of 5-N-[(2-chloro-6-methoxyphenyl)methyl]-3-ethyl-1-methylpyrazole-4,5-diamine?
The IUPAC name of 5-N-[(2-chloro-6-methoxyphenyl)methyl]-3-ethyl-1-methylpyrazole-4,5-diamine (CID 103291780) is 5-N-[(2-chloro-6-methoxyphenyl)methyl]-3-ethyl-1-methylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-[(2-chloro-6-methoxyphenyl)methyl]-3-ethyl-1-methylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-[(2-chloro-6-methoxyphenyl)methyl]-3-ethyl-1-methylpyrazole-4,5-diamine is CCc1nn(C)c(NCc2c(Cl)cccc2OC)c1N.
What is the InChIKey of 5-N-[(2-chloro-6-methoxyphenyl)methyl]-3-ethyl-1-methylpyrazole-4,5-diamine?
The InChIKey is ZDMJJCXURRULRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O/c1-4-11-13(16)14(19(2)18-11)17-8-9-10(15)6-5-7-12(9)20-3/h5-7,17H,4,8,16H2,1-3H3.
What are the key properties of 5-N-[(2-chloro-6-methoxyphenyl)methyl]-3-ethyl-1-methylpyrazole-4,5-diamine?
5-N-[(2-chloro-6-methoxyphenyl)methyl]-3-ethyl-1-methylpyrazole-4,5-diamine has a molecular weight of 294.79 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(2-chloro-6-methoxyphenyl)methyl]-3-ethyl-1-methylpyrazole-4,5-diamine is sourced from PubChem (CID 103291780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).