5-N-[1-(4-chlorophenyl)ethyl]-3-ethyl-1-methylpyrazole-4,5-diamine

C14H19ClN4 — CID 66016788

IUPAC5-N-[1-(4-chlorophenyl)ethyl]-3-ethyl-1-methylpyrazole-4,5-diamine
SMILESCCc1nn(C)c(NC(C)c2ccc(Cl)cc2)c1N
InChIInChI=1S/C14H19ClN4/c1-4-12-13(16)14(19(3)18-12)17-9(2)10-5-7-11(15)8-6-10/h5-9,17H,4,16H2,1-3H3
InChIKeyBWCFNJJNQKUPMZ-UHFFFAOYSA-N
MW278.79 g/mol
LogP3.39
Rot. Bonds4

About 5-N-[1-(4-chlorophenyl)ethyl]-3-ethyl-1-methylpyrazole-4,5-diamine

5-N-[1-(4-chlorophenyl)ethyl]-3-ethyl-1-methylpyrazole-4,5-diamine (PubChem CID 66016788) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is 5-N-[1-(4-chlorophenyl)ethyl]-3-ethyl-1-methylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-[1-(4-chlorophenyl)ethyl]-3-ethyl-1-methylpyrazole-4,5-diamine
PubChem CID66016788
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC Name5-N-[1-(4-chlorophenyl)ethyl]-3-ethyl-1-methylpyrazole-4,5-diamine
SMILESCCc1nn(C)c(NC(C)c2ccc(Cl)cc2)c1N
InChIInChI=1S/C14H19ClN4/c1-4-12-13(16)14(19(3)18-12)17-9(2)10-5-7-11(15)8-6-10/h5-9,17H,4,16H2,1-3H3
InChIKeyBWCFNJJNQKUPMZ-UHFFFAOYSA-N
XLogP3.39
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-5-N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4,5-diamine
CID 66196027
1-methyl-5-N-(1-phenylethyl)-3-propylpyrazole-4,5-diamine
CID 66018634
3-ethyl-1-methyl-5-N-(1-thiophen-2-ylethyl)pyrazole-4,5-diamine
CID 66015588
3-ethyl-1-methyl-5-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4,5-diamine
CID 66015829
5-N-(5-chloro-2-methylphenyl)-3-ethyl-1-methylpyrazole-4,5-diamine
CID 66014175
5-N-[1-(3-fluorophenyl)ethyl]-1-methyl-3-propylpyrazole-4,5-diamine
CID 66019258
methyl 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-2-phenylacetate
CID 66016028
1-methyl-5-N-(1-phenylethyl)-3-propan-2-ylpyrazole-4,5-diamine
CID 66018949
2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-N-ethyl-N-methylpropanamide
CID 103106733
1-methyl-5-N-[1-(5-methylthiophen-2-yl)ethyl]-3-propylpyrazole-4,5-diamine
CID 66019643
3-ethyl-1-methyl-5-N-(1-thiophen-2-ylbutyl)pyrazole-4,5-diamine
CID 66014606
4-amino-N-[1-(3-chlorophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66124147

Frequently Asked Questions

What is the IUPAC name of 5-N-[1-(4-chlorophenyl)ethyl]-3-ethyl-1-methylpyrazole-4,5-diamine?
The IUPAC name of 5-N-[1-(4-chlorophenyl)ethyl]-3-ethyl-1-methylpyrazole-4,5-diamine (CID 66016788) is 5-N-[1-(4-chlorophenyl)ethyl]-3-ethyl-1-methylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-[1-(4-chlorophenyl)ethyl]-3-ethyl-1-methylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-[1-(4-chlorophenyl)ethyl]-3-ethyl-1-methylpyrazole-4,5-diamine is CCc1nn(C)c(NC(C)c2ccc(Cl)cc2)c1N.
What is the InChIKey of 5-N-[1-(4-chlorophenyl)ethyl]-3-ethyl-1-methylpyrazole-4,5-diamine?
The InChIKey is BWCFNJJNQKUPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4/c1-4-12-13(16)14(19(3)18-12)17-9(2)10-5-7-11(15)8-6-10/h5-9,17H,4,16H2,1-3H3.
What are the key properties of 5-N-[1-(4-chlorophenyl)ethyl]-3-ethyl-1-methylpyrazole-4,5-diamine?
5-N-[1-(4-chlorophenyl)ethyl]-3-ethyl-1-methylpyrazole-4,5-diamine has a molecular weight of 278.79 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[1-(4-chlorophenyl)ethyl]-3-ethyl-1-methylpyrazole-4,5-diamine is sourced from PubChem (CID 66016788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).