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

C14H26N4 — CID 107397231

IUPAC5-N-(cyclobutylmethyl)-5-N-ethyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
SMILESCCN(CC1CCC1)c1c(N)c(C)nn1C(C)C
InChIInChI=1S/C14H26N4/c1-5-17(9-12-7-6-8-12)14-13(15)11(4)16-18(14)10(2)3/h10,12H,5-9,15H2,1-4H3
InChIKeyYZRQMZNGMAXKCJ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.98
Rot. Bonds5

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

5-N-(cyclobutylmethyl)-5-N-ethyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine (PubChem CID 107397231) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 5-N-(cyclobutylmethyl)-5-N-ethyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(cyclobutylmethyl)-5-N-ethyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
PubChem CID107397231
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name5-N-(cyclobutylmethyl)-5-N-ethyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
SMILESCCN(CC1CCC1)c1c(N)c(C)nn1C(C)C
InChIInChI=1S/C14H26N4/c1-5-17(9-12-7-6-8-12)14-13(15)11(4)16-18(14)10(2)3/h10,12H,5-9,15H2,1-4H3
InChIKeyYZRQMZNGMAXKCJ-UHFFFAOYSA-N
XLogP2.98
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-(cyclobutylmethyl)-5-N-ethyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(cyclobutylmethyl)-5-N-ethyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine (CID 107397231) is 5-N-(cyclobutylmethyl)-5-N-ethyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(cyclobutylmethyl)-5-N-ethyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(cyclobutylmethyl)-5-N-ethyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine is CCN(CC1CCC1)c1c(N)c(C)nn1C(C)C.
What is the InChIKey of 5-N-(cyclobutylmethyl)-5-N-ethyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is YZRQMZNGMAXKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-5-17(9-12-7-6-8-12)14-13(15)11(4)16-18(14)10(2)3/h10,12H,5-9,15H2,1-4H3.
What are the key properties of 5-N-(cyclobutylmethyl)-5-N-ethyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
5-N-(cyclobutylmethyl)-5-N-ethyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(cyclobutylmethyl)-5-N-ethyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 107397231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).