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

C13H24N4 — CID 66015985

IUPAC5-N-(cyclohexylmethyl)-3-ethyl-1-methylpyrazole-4,5-diamine
SMILESCCc1nn(C)c(NCC2CCCCC2)c1N
InChIInChI=1S/C13H24N4/c1-3-11-12(14)13(17(2)16-11)15-9-10-7-5-4-6-8-10/h10,15H,3-9,14H2,1-2H3
InChIKeyYMBWJEKGDMBNSR-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.56
Rot. Bonds4

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

5-N-(cyclohexylmethyl)-3-ethyl-1-methylpyrazole-4,5-diamine (PubChem CID 66015985) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 5-N-(cyclohexylmethyl)-3-ethyl-1-methylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(cyclohexylmethyl)-3-ethyl-1-methylpyrazole-4,5-diamine
PubChem CID66015985
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name5-N-(cyclohexylmethyl)-3-ethyl-1-methylpyrazole-4,5-diamine
SMILESCCc1nn(C)c(NCC2CCCCC2)c1N
InChIInChI=1S/C13H24N4/c1-3-11-12(14)13(17(2)16-11)15-9-10-7-5-4-6-8-10/h10,15H,3-9,14H2,1-2H3
InChIKeyYMBWJEKGDMBNSR-UHFFFAOYSA-N
XLogP2.56
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-1-cyclopropylethanol
CID 66014043
5-N-(2-cyclohexyloxyethyl)-1-methyl-3-propylpyrazole-4,5-diamine
CID 66017735
3-ethyl-1-methyl-5-N-(2-methylsulfanylcyclohexyl)pyrazole-4,5-diamine
CID 114122376
3-ethyl-1-methyl-5-N-(1-methylpiperidin-3-yl)pyrazole-4,5-diamine
CID 66014594
5-N-(cyclopropylmethyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66018365
2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107845380
3-ethyl-1-methyl-5-N-pentylpyrazole-4,5-diamine
CID 66014562
5-N-cycloheptyl-1-methyl-3-propylpyrazole-4,5-diamine
CID 66017100
methyl 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]acetate
CID 66016354
3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]piperidin-2-one
CID 66015628
5-N-[2-(diethylamino)ethyl]-3-ethyl-1-methylpyrazole-4,5-diamine
CID 66016551
5-N-(4,4-dimethylcyclohexyl)-3-ethyl-1-methylpyrazole-4,5-diamine
CID 66014444

Frequently Asked Questions

What is the IUPAC name of 5-N-(cyclohexylmethyl)-3-ethyl-1-methylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(cyclohexylmethyl)-3-ethyl-1-methylpyrazole-4,5-diamine (CID 66015985) is 5-N-(cyclohexylmethyl)-3-ethyl-1-methylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(cyclohexylmethyl)-3-ethyl-1-methylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(cyclohexylmethyl)-3-ethyl-1-methylpyrazole-4,5-diamine is CCc1nn(C)c(NCC2CCCCC2)c1N.
What is the InChIKey of 5-N-(cyclohexylmethyl)-3-ethyl-1-methylpyrazole-4,5-diamine?
The InChIKey is YMBWJEKGDMBNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-3-11-12(14)13(17(2)16-11)15-9-10-7-5-4-6-8-10/h10,15H,3-9,14H2,1-2H3.
What are the key properties of 5-N-(cyclohexylmethyl)-3-ethyl-1-methylpyrazole-4,5-diamine?
5-N-(cyclohexylmethyl)-3-ethyl-1-methylpyrazole-4,5-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(cyclohexylmethyl)-3-ethyl-1-methylpyrazole-4,5-diamine is sourced from PubChem (CID 66015985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).