5-(4-cyclopropylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide

C13H22N6 — CID 55243294

IUPAC5-(4-cyclopropylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1N1CCN(C2CC2)CC1
InChIInChI=1S/C13H22N6/c1-9-11(12(14)15)13(17(2)16-9)19-7-5-18(6-8-19)10-3-4-10/h10H,3-8H2,1-2H3,(H3,14,15)
InChIKeyFAEMHBRQZYFBLE-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.30
Rot. Bonds3

About 5-(4-cyclopropylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide

5-(4-cyclopropylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide (PubChem CID 55243294) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is 5-(4-cyclopropylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide.

Molecular Properties

Compound Name5-(4-cyclopropylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide
PubChem CID55243294
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC Name5-(4-cyclopropylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1N1CCN(C2CC2)CC1
InChIInChI=1S/C13H22N6/c1-9-11(12(14)15)13(17(2)16-9)19-7-5-18(6-8-19)10-3-4-10/h10H,3-8H2,1-2H3,(H3,14,15)
InChIKeyFAEMHBRQZYFBLE-UHFFFAOYSA-N
XLogP0.30
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.30
H-Bond Donors ≤ 52
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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Related Compounds

5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1,3-dimethylpyrazole-4-carboximidamide
CID 63752216
5-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-dimethylpyrazole-4-carboximidamide
CID 106836120
5-(3-hydroxypyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide
CID 63751371
1,3-dimethyl-5-(3-methylpiperidin-1-yl)pyrazole-4-carboximidamide
CID 63752202
5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,3-dimethylpyrazole-4-carboximidamide
CID 63751199
1,3-dimethyl-5-(2-methylpyrrolidin-1-yl)pyrazole-4-carboximidamide
CID 63751697
5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-dimethylpyrazole-4-carboximidamide
CID 64576688
5-(2-cyclopentylpyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide
CID 63751873
5-[2-(hydroxymethyl)morpholin-4-yl]-1,3-dimethylpyrazole-4-carboximidamide
CID 81203422
5-(4,5-dimethylimidazol-1-yl)-1,3-dimethylpyrazole-4-carboximidamide
CID 55241555
5-(2,2-dimethylpyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide
CID 55241171
5-(4-cyclopropylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde
CID 61441855

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide?
The IUPAC name of 5-(4-cyclopropylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide (CID 55243294) is 5-(4-cyclopropylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide.
What is the SMILES notation for 5-(4-cyclopropylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide?
The canonical SMILES for 5-(4-cyclopropylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide is [H]/N=C(\N)c1c(C)nn(C)c1N1CCN(C2CC2)CC1.
What is the InChIKey of 5-(4-cyclopropylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide?
The InChIKey is FAEMHBRQZYFBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-9-11(12(14)15)13(17(2)16-9)19-7-5-18(6-8-19)10-3-4-10/h10H,3-8H2,1-2H3,(H3,14,15).
What are the key properties of 5-(4-cyclopropylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide?
5-(4-cyclopropylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide has a molecular weight of 262.36 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopropylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide is sourced from PubChem (CID 55243294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).