3-ethyl-1-methyl-5-N-[(4-methylphenyl)methyl]pyrazole-4,5-diamine

C14H20N4 — CID 66014364

IUPAC3-ethyl-1-methyl-5-N-[(4-methylphenyl)methyl]pyrazole-4,5-diamine
SMILESCCc1nn(C)c(NCc2ccc(C)cc2)c1N
InChIInChI=1S/C14H20N4/c1-4-12-13(15)14(18(3)17-12)16-9-11-7-5-10(2)6-8-11/h5-8,16H,4,9,15H2,1-3H3
InChIKeyJFLRLLVMXOOTJO-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.49
Rot. Bonds4

About 3-ethyl-1-methyl-5-N-[(4-methylphenyl)methyl]pyrazole-4,5-diamine

3-ethyl-1-methyl-5-N-[(4-methylphenyl)methyl]pyrazole-4,5-diamine (PubChem CID 66014364) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-ethyl-1-methyl-5-N-[(4-methylphenyl)methyl]pyrazole-4,5-diamine.

Molecular Properties

Compound Name3-ethyl-1-methyl-5-N-[(4-methylphenyl)methyl]pyrazole-4,5-diamine
PubChem CID66014364
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name3-ethyl-1-methyl-5-N-[(4-methylphenyl)methyl]pyrazole-4,5-diamine
SMILESCCc1nn(C)c(NCc2ccc(C)cc2)c1N
InChIInChI=1S/C14H20N4/c1-4-12-13(15)14(18(3)17-12)16-9-11-7-5-10(2)6-8-11/h5-8,16H,4,9,15H2,1-3H3
InChIKeyJFLRLLVMXOOTJO-UHFFFAOYSA-N
XLogP2.49
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-5-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-4,5-diamine
CID 66016747
4-[[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]methyl]benzonitrile
CID 66014425
3-ethyl-5-N-[(5-ethylthiophen-2-yl)methyl]-1-methylpyrazole-4,5-diamine
CID 106007265
5-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-1-methylpyrazole-4,5-diamine
CID 106369875
3-ethyl-5-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4,5-diamine
CID 66014362
3-ethyl-5-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpyrazole-4,5-diamine
CID 106301851
3-ethyl-5-N,1-dimethyl-5-N-[(4-methylphenyl)methyl]pyrazole-4,5-diamine
CID 66015159
3-ethyl-1-methyl-5-N-pentylpyrazole-4,5-diamine
CID 66014562
5-N-[(2-chloro-6-methoxyphenyl)methyl]-3-ethyl-1-methylpyrazole-4,5-diamine
CID 103291780
5-N-[2-(diethylamino)ethyl]-3-ethyl-1-methylpyrazole-4,5-diamine
CID 66016551
3-ethyl-1-methyl-5-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazole-4,5-diamine
CID 106103977
5-N-[(4-fluorophenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66019338

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-5-N-[(4-methylphenyl)methyl]pyrazole-4,5-diamine?
The IUPAC name of 3-ethyl-1-methyl-5-N-[(4-methylphenyl)methyl]pyrazole-4,5-diamine (CID 66014364) is 3-ethyl-1-methyl-5-N-[(4-methylphenyl)methyl]pyrazole-4,5-diamine.
What is the SMILES notation for 3-ethyl-1-methyl-5-N-[(4-methylphenyl)methyl]pyrazole-4,5-diamine?
The canonical SMILES for 3-ethyl-1-methyl-5-N-[(4-methylphenyl)methyl]pyrazole-4,5-diamine is CCc1nn(C)c(NCc2ccc(C)cc2)c1N.
What is the InChIKey of 3-ethyl-1-methyl-5-N-[(4-methylphenyl)methyl]pyrazole-4,5-diamine?
The InChIKey is JFLRLLVMXOOTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-4-12-13(15)14(18(3)17-12)16-9-11-7-5-10(2)6-8-11/h5-8,16H,4,9,15H2,1-3H3.
What are the key properties of 3-ethyl-1-methyl-5-N-[(4-methylphenyl)methyl]pyrazole-4,5-diamine?
3-ethyl-1-methyl-5-N-[(4-methylphenyl)methyl]pyrazole-4,5-diamine has a molecular weight of 244.34 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-5-N-[(4-methylphenyl)methyl]pyrazole-4,5-diamine is sourced from PubChem (CID 66014364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).