5-N-[[1-(dimethylamino)cyclobutyl]methyl]-5-N,3-dimethyl-1-propan-2-ylpyrazole-4,5-diamine

C15H29N5 — CID 105414216

IUPAC5-N-[[1-(dimethylamino)cyclobutyl]methyl]-5-N,3-dimethyl-1-propan-2-ylpyrazole-4,5-diamine
SMILESCc1nn(C(C)C)c(N(C)CC2(N(C)C)CCC2)c1N
InChIInChI=1S/C15H29N5/c1-11(2)20-14(13(16)12(3)17-20)19(6)10-15(18(4)5)8-7-9-15/h11H,7-10,16H2,1-6H3
InChIKeyPBXUWVYSWDVYKD-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.28
Rot. Bonds5

About 5-N-[[1-(dimethylamino)cyclobutyl]methyl]-5-N,3-dimethyl-1-propan-2-ylpyrazole-4,5-diamine

5-N-[[1-(dimethylamino)cyclobutyl]methyl]-5-N,3-dimethyl-1-propan-2-ylpyrazole-4,5-diamine (PubChem CID 105414216) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is 5-N-[[1-(dimethylamino)cyclobutyl]methyl]-5-N,3-dimethyl-1-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-[[1-(dimethylamino)cyclobutyl]methyl]-5-N,3-dimethyl-1-propan-2-ylpyrazole-4,5-diamine
PubChem CID105414216
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC Name5-N-[[1-(dimethylamino)cyclobutyl]methyl]-5-N,3-dimethyl-1-propan-2-ylpyrazole-4,5-diamine
SMILESCc1nn(C(C)C)c(N(C)CC2(N(C)C)CCC2)c1N
InChIInChI=1S/C15H29N5/c1-11(2)20-14(13(16)12(3)17-20)19(6)10-15(18(4)5)8-7-9-15/h11H,7-10,16H2,1-6H3
InChIKeyPBXUWVYSWDVYKD-UHFFFAOYSA-N
XLogP2.28
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-[[1-(dimethylamino)cyclobutyl]methyl]-5-N,3-dimethyl-1-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 5-N-[[1-(dimethylamino)cyclobutyl]methyl]-5-N,3-dimethyl-1-propan-2-ylpyrazole-4,5-diamine (CID 105414216) is 5-N-[[1-(dimethylamino)cyclobutyl]methyl]-5-N,3-dimethyl-1-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-[[1-(dimethylamino)cyclobutyl]methyl]-5-N,3-dimethyl-1-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-[[1-(dimethylamino)cyclobutyl]methyl]-5-N,3-dimethyl-1-propan-2-ylpyrazole-4,5-diamine is Cc1nn(C(C)C)c(N(C)CC2(N(C)C)CCC2)c1N.
What is the InChIKey of 5-N-[[1-(dimethylamino)cyclobutyl]methyl]-5-N,3-dimethyl-1-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is PBXUWVYSWDVYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c1-11(2)20-14(13(16)12(3)17-20)19(6)10-15(18(4)5)8-7-9-15/h11H,7-10,16H2,1-6H3.
What are the key properties of 5-N-[[1-(dimethylamino)cyclobutyl]methyl]-5-N,3-dimethyl-1-propan-2-ylpyrazole-4,5-diamine?
5-N-[[1-(dimethylamino)cyclobutyl]methyl]-5-N,3-dimethyl-1-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 279.43 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[[1-(dimethylamino)cyclobutyl]methyl]-5-N,3-dimethyl-1-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 105414216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).