5-N,1-dimethyl-5-N-(3-methylcyclohexyl)-3-propylpyrazole-4,5-diamine

C15H28N4 — CID 66019252

IUPAC5-N,1-dimethyl-5-N-(3-methylcyclohexyl)-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(N(C)C2CCCC(C)C2)c1N
InChIInChI=1S/C15H28N4/c1-5-7-13-14(16)15(19(4)17-13)18(3)12-9-6-8-11(2)10-12/h11-12H,5-10,16H2,1-4H3
InChIKeyAVMURZFLURRMHF-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.97
Rot. Bonds4

About 5-N,1-dimethyl-5-N-(3-methylcyclohexyl)-3-propylpyrazole-4,5-diamine

5-N,1-dimethyl-5-N-(3-methylcyclohexyl)-3-propylpyrazole-4,5-diamine (PubChem CID 66019252) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 5-N,1-dimethyl-5-N-(3-methylcyclohexyl)-3-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N,1-dimethyl-5-N-(3-methylcyclohexyl)-3-propylpyrazole-4,5-diamine
PubChem CID66019252
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name5-N,1-dimethyl-5-N-(3-methylcyclohexyl)-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(N(C)C2CCCC(C)C2)c1N
InChIInChI=1S/C15H28N4/c1-5-7-13-14(16)15(19(4)17-13)18(3)12-9-6-8-11(2)10-12/h11-12H,5-10,16H2,1-4H3
InChIKeyAVMURZFLURRMHF-UHFFFAOYSA-N
XLogP2.97
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N,1-dimethyl-5-N-(3-methylcyclohexyl)-3-propylpyrazole-4,5-diamine?
The IUPAC name of 5-N,1-dimethyl-5-N-(3-methylcyclohexyl)-3-propylpyrazole-4,5-diamine (CID 66019252) is 5-N,1-dimethyl-5-N-(3-methylcyclohexyl)-3-propylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N,1-dimethyl-5-N-(3-methylcyclohexyl)-3-propylpyrazole-4,5-diamine?
The canonical SMILES for 5-N,1-dimethyl-5-N-(3-methylcyclohexyl)-3-propylpyrazole-4,5-diamine is CCCc1nn(C)c(N(C)C2CCCC(C)C2)c1N.
What is the InChIKey of 5-N,1-dimethyl-5-N-(3-methylcyclohexyl)-3-propylpyrazole-4,5-diamine?
The InChIKey is AVMURZFLURRMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-5-7-13-14(16)15(19(4)17-13)18(3)12-9-6-8-11(2)10-12/h11-12H,5-10,16H2,1-4H3.
What are the key properties of 5-N,1-dimethyl-5-N-(3-methylcyclohexyl)-3-propylpyrazole-4,5-diamine?
5-N,1-dimethyl-5-N-(3-methylcyclohexyl)-3-propylpyrazole-4,5-diamine has a molecular weight of 264.42 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,1-dimethyl-5-N-(3-methylcyclohexyl)-3-propylpyrazole-4,5-diamine is sourced from PubChem (CID 66019252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).