5-N-(3-chloro-4-methoxyphenyl)-3-ethyl-1-methylpyrazole-4,5-diamine

C13H17ClN4O — CID 66015168

IUPAC5-N-(3-chloro-4-methoxyphenyl)-3-ethyl-1-methylpyrazole-4,5-diamine
SMILESCCc1nn(C)c(Nc2ccc(OC)c(Cl)c2)c1N
InChIInChI=1S/C13H17ClN4O/c1-4-10-12(15)13(18(2)17-10)16-8-5-6-11(19-3)9(14)7-8/h5-7,16H,4,15H2,1-3H3
InChIKeyNTQUSWBRXGYBTQ-UHFFFAOYSA-N
MW280.76 g/mol
LogP2.97
Rot. Bonds4

About 5-N-(3-chloro-4-methoxyphenyl)-3-ethyl-1-methylpyrazole-4,5-diamine

5-N-(3-chloro-4-methoxyphenyl)-3-ethyl-1-methylpyrazole-4,5-diamine (PubChem CID 66015168) has the molecular formula C13H17ClN4O and a molecular weight of 280.76 g/mol. Its IUPAC name is 5-N-(3-chloro-4-methoxyphenyl)-3-ethyl-1-methylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(3-chloro-4-methoxyphenyl)-3-ethyl-1-methylpyrazole-4,5-diamine
PubChem CID66015168
Molecular FormulaC13H17ClN4O
Molecular Weight280.76 g/mol
Exact Mass280.11
IUPAC Name5-N-(3-chloro-4-methoxyphenyl)-3-ethyl-1-methylpyrazole-4,5-diamine
SMILESCCc1nn(C)c(Nc2ccc(OC)c(Cl)c2)c1N
InChIInChI=1S/C13H17ClN4O/c1-4-10-12(15)13(18(2)17-10)16-8-5-6-11(19-3)9(14)7-8/h5-7,16H,4,15H2,1-3H3
InChIKeyNTQUSWBRXGYBTQ-UHFFFAOYSA-N
XLogP2.97
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-(4-chloro-2-methoxy-5-methylphenyl)-3-ethyl-1-methylpyrazole-4,5-diamine
CID 66015575
5-N-[(2-chloro-6-methoxyphenyl)methyl]-3-ethyl-1-methylpyrazole-4,5-diamine
CID 103291780
5-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-ethyl-1-methylpyrazole-4,5-diamine
CID 66016365
4-N-(3-chloro-4-methoxyphenyl)-2-methoxybenzene-1,4-diamine
CID 55233537
4-N-(3-chloro-4-methoxyphenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80762923
4-N-(3-chloro-4-methoxyphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80763195
2-N-(3-chloro-4-methoxyphenyl)-4,5-dimethoxybenzene-1,2-diamine
CID 83004208
3-N-(3-chloro-4-methoxyphenyl)-4-methylbenzene-1,3-diamine
CID 55091841
4-N-(3-chloro-4-methoxyphenyl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80976999
3-chloro-4-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]aniline
CID 115628881
5-N-(4-fluorophenyl)-1-methyl-3-propylpyrazole-4,5-diamine
CID 66018841
6-N-(3-chloro-4-methoxyphenyl)-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine
CID 112875685

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-chloro-4-methoxyphenyl)-3-ethyl-1-methylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(3-chloro-4-methoxyphenyl)-3-ethyl-1-methylpyrazole-4,5-diamine (CID 66015168) is 5-N-(3-chloro-4-methoxyphenyl)-3-ethyl-1-methylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(3-chloro-4-methoxyphenyl)-3-ethyl-1-methylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(3-chloro-4-methoxyphenyl)-3-ethyl-1-methylpyrazole-4,5-diamine is CCc1nn(C)c(Nc2ccc(OC)c(Cl)c2)c1N.
What is the InChIKey of 5-N-(3-chloro-4-methoxyphenyl)-3-ethyl-1-methylpyrazole-4,5-diamine?
The InChIKey is NTQUSWBRXGYBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O/c1-4-10-12(15)13(18(2)17-10)16-8-5-6-11(19-3)9(14)7-8/h5-7,16H,4,15H2,1-3H3.
What are the key properties of 5-N-(3-chloro-4-methoxyphenyl)-3-ethyl-1-methylpyrazole-4,5-diamine?
5-N-(3-chloro-4-methoxyphenyl)-3-ethyl-1-methylpyrazole-4,5-diamine has a molecular weight of 280.76 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-chloro-4-methoxyphenyl)-3-ethyl-1-methylpyrazole-4,5-diamine is sourced from PubChem (CID 66015168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).