5-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine

C14H25N5 — CID 66017249

IUPAC5-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
SMILESCC(C)c1nn(C)c(NC2CCN3CCCC23)c1N
InChIInChI=1S/C14H25N5/c1-9(2)13-12(15)14(18(3)17-13)16-10-6-8-19-7-4-5-11(10)19/h9-11,16H,4-8,15H2,1-3H3
InChIKeyXUSAHNRMECKXQY-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.77
Rot. Bonds3

About 5-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine

5-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine (PubChem CID 66017249) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 5-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
PubChem CID66017249
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name5-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
SMILESCC(C)c1nn(C)c(NC2CCN3CCCC23)c1N
InChIInChI=1S/C14H25N5/c1-9(2)13-12(15)14(18(3)17-13)16-10-6-8-19-7-4-5-11(10)19/h9-11,16H,4-8,15H2,1-3H3
InChIKeyXUSAHNRMECKXQY-UHFFFAOYSA-N
XLogP1.77
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine (CID 66017249) is 5-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine is CC(C)c1nn(C)c(NC2CCN3CCCC23)c1N.
What is the InChIKey of 5-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is XUSAHNRMECKXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-9(2)13-12(15)14(18(3)17-13)16-10-6-8-19-7-4-5-11(10)19/h9-11,16H,4-8,15H2,1-3H3.
What are the key properties of 5-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine?
5-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 263.39 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 66017249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).