5-N-(3-ethylcyclohexyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine

C15H28N4 — CID 66012146

IUPAC5-N-(3-ethylcyclohexyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
SMILESCCC1CCCC(Nc2c(N)c(C(C)C)nn2C)C1
InChIInChI=1S/C15H28N4/c1-5-11-7-6-8-12(9-11)17-15-13(16)14(10(2)3)18-19(15)4/h10-12,17H,5-9,16H2,1-4H3
InChIKeyOOQLWIUYHVFZKN-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.51
Rot. Bonds4

About 5-N-(3-ethylcyclohexyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine

5-N-(3-ethylcyclohexyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine (PubChem CID 66012146) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 5-N-(3-ethylcyclohexyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(3-ethylcyclohexyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
PubChem CID66012146
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name5-N-(3-ethylcyclohexyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
SMILESCCC1CCCC(Nc2c(N)c(C(C)C)nn2C)C1
InChIInChI=1S/C15H28N4/c1-5-11-7-6-8-12(9-11)17-15-13(16)14(10(2)3)18-19(15)4/h10-12,17H,5-9,16H2,1-4H3
InChIKeyOOQLWIUYHVFZKN-UHFFFAOYSA-N
XLogP3.51
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-5-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-propan-2-ylpyrazole-4,5-diamine
CID 66011954
1-methyl-5-N-(2-methyloxan-4-yl)-3-propan-2-ylpyrazole-4,5-diamine
CID 114107267
5-N-(1,1-dioxothian-4-yl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66018202
5-N-(3-ethyl-2-methylcyclopentyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66012536
5-N-(cyclopropylmethyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66018365
5-N-(1,1-dioxothiolan-3-yl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66018561
2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]cyclohexan-1-ol
CID 66017455
1-methyl-5-N-(3-methylcyclohexyl)-3-propylpyrazole-4,5-diamine
CID 66019813
1-methyl-5-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-propan-2-ylpyrazole-4,5-diamine
CID 80714459
2-[[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]methyl]cyclopentan-1-ol
CID 66011569
3-ethyl-N-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine
CID 107042459
5-N-cycloheptyl-1-methyl-3-propylpyrazole-4,5-diamine
CID 66017100

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-ethylcyclohexyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(3-ethylcyclohexyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine (CID 66012146) is 5-N-(3-ethylcyclohexyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(3-ethylcyclohexyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(3-ethylcyclohexyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine is CCC1CCCC(Nc2c(N)c(C(C)C)nn2C)C1.
What is the InChIKey of 5-N-(3-ethylcyclohexyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is OOQLWIUYHVFZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-5-11-7-6-8-12(9-11)17-15-13(16)14(10(2)3)18-19(15)4/h10-12,17H,5-9,16H2,1-4H3.
What are the key properties of 5-N-(3-ethylcyclohexyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine?
5-N-(3-ethylcyclohexyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 264.42 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-ethylcyclohexyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 66012146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).