5-[(1-hydroxycyclopentyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carboximidamide

C13H23N5O — CID 114949737

IUPAC5-[(1-hydroxycyclopentyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1N(C)CC1(O)CCCC1
InChIInChI=1S/C13H23N5O/c1-9-10(11(14)15)12(18(3)16-9)17(2)8-13(19)6-4-5-7-13/h19H,4-8H2,1-3H3,(H3,14,15)
InChIKeyMFGXQCCPLHZIAB-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.75
Rot. Bonds4

About 5-[(1-hydroxycyclopentyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carboximidamide

5-[(1-hydroxycyclopentyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carboximidamide (PubChem CID 114949737) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-[(1-hydroxycyclopentyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carboximidamide.

Molecular Properties

Compound Name5-[(1-hydroxycyclopentyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carboximidamide
PubChem CID114949737
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name5-[(1-hydroxycyclopentyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1N(C)CC1(O)CCCC1
InChIInChI=1S/C13H23N5O/c1-9-10(11(14)15)12(18(3)16-9)17(2)8-13(19)6-4-5-7-13/h19H,4-8H2,1-3H3,(H3,14,15)
InChIKeyMFGXQCCPLHZIAB-UHFFFAOYSA-N
XLogP0.75
TPSA91.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-hydroxycyclopentyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carboximidamide?
The IUPAC name of 5-[(1-hydroxycyclopentyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carboximidamide (CID 114949737) is 5-[(1-hydroxycyclopentyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carboximidamide.
What is the SMILES notation for 5-[(1-hydroxycyclopentyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carboximidamide?
The canonical SMILES for 5-[(1-hydroxycyclopentyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carboximidamide is [H]/N=C(\N)c1c(C)nn(C)c1N(C)CC1(O)CCCC1.
What is the InChIKey of 5-[(1-hydroxycyclopentyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carboximidamide?
The InChIKey is MFGXQCCPLHZIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-9-10(11(14)15)12(18(3)16-9)17(2)8-13(19)6-4-5-7-13/h19H,4-8H2,1-3H3,(H3,14,15).
What are the key properties of 5-[(1-hydroxycyclopentyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carboximidamide?
5-[(1-hydroxycyclopentyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carboximidamide has a molecular weight of 265.36 g/mol, XLogP of 0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-hydroxycyclopentyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carboximidamide is sourced from PubChem (CID 114949737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).