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

C15H28N4 — CID 79026644

IUPAC5-N-cyclopropyl-1-methyl-5-N-(3-methylbutyl)-3-propan-2-ylpyrazole-4,5-diamine
SMILESCC(C)CCN(c1c(N)c(C(C)C)nn1C)C1CC1
InChIInChI=1S/C15H28N4/c1-10(2)8-9-19(12-6-7-12)15-13(16)14(11(3)4)17-18(15)5/h10-12H,6-9,16H2,1-5H3
InChIKeyVLWJNSIINYIWFV-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.14
Rot. Bonds6

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

5-N-cyclopropyl-1-methyl-5-N-(3-methylbutyl)-3-propan-2-ylpyrazole-4,5-diamine (PubChem CID 79026644) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 5-N-cyclopropyl-1-methyl-5-N-(3-methylbutyl)-3-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-cyclopropyl-1-methyl-5-N-(3-methylbutyl)-3-propan-2-ylpyrazole-4,5-diamine
PubChem CID79026644
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name5-N-cyclopropyl-1-methyl-5-N-(3-methylbutyl)-3-propan-2-ylpyrazole-4,5-diamine
SMILESCC(C)CCN(c1c(N)c(C(C)C)nn1C)C1CC1
InChIInChI=1S/C15H28N4/c1-10(2)8-9-19(12-6-7-12)15-13(16)14(11(3)4)17-18(15)5/h10-12H,6-9,16H2,1-5H3
InChIKeyVLWJNSIINYIWFV-UHFFFAOYSA-N
XLogP3.14
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-cyclopropyl-1-methyl-5-N-(3-methylbutyl)-3-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 5-N-cyclopropyl-1-methyl-5-N-(3-methylbutyl)-3-propan-2-ylpyrazole-4,5-diamine (CID 79026644) is 5-N-cyclopropyl-1-methyl-5-N-(3-methylbutyl)-3-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-cyclopropyl-1-methyl-5-N-(3-methylbutyl)-3-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-cyclopropyl-1-methyl-5-N-(3-methylbutyl)-3-propan-2-ylpyrazole-4,5-diamine is CC(C)CCN(c1c(N)c(C(C)C)nn1C)C1CC1.
What is the InChIKey of 5-N-cyclopropyl-1-methyl-5-N-(3-methylbutyl)-3-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is VLWJNSIINYIWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-10(2)8-9-19(12-6-7-12)15-13(16)14(11(3)4)17-18(15)5/h10-12H,6-9,16H2,1-5H3.
What are the key properties of 5-N-cyclopropyl-1-methyl-5-N-(3-methylbutyl)-3-propan-2-ylpyrazole-4,5-diamine?
5-N-cyclopropyl-1-methyl-5-N-(3-methylbutyl)-3-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 264.42 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclopropyl-1-methyl-5-N-(3-methylbutyl)-3-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 79026644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).