3-(3-hydroxypyrrolidin-1-yl)-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide

C13H20N6O — CID 123196514

IUPAC3-(3-hydroxypyrrolidin-1-yl)-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
SMILES[H]/N=C(/C/C(N)=N/c1cc(/C=C/C)[nH]n1)N1CCC(O)C1
InChIInChI=1S/C13H20N6O/c1-2-3-9-6-13(18-17-9)16-11(14)7-12(15)19-5-4-10(20)8-19/h2-3,6,10,15,20H,4-5,7-8H2,1H3,(H3,14,16,17,18)/b3-2+,15-12-
InChIKeyGHYKDSZJIJPBGD-MJIZBIMRSA-N
MW276.34 g/mol
LogP0.87
Rot. Bonds4

About 3-(3-hydroxypyrrolidin-1-yl)-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide

3-(3-hydroxypyrrolidin-1-yl)-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide (PubChem CID 123196514) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-(3-hydroxypyrrolidin-1-yl)-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide.

Molecular Properties

Compound Name3-(3-hydroxypyrrolidin-1-yl)-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
PubChem CID123196514
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name3-(3-hydroxypyrrolidin-1-yl)-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
SMILES[H]/N=C(/C/C(N)=N/c1cc(/C=C/C)[nH]n1)N1CCC(O)C1
InChIInChI=1S/C13H20N6O/c1-2-3-9-6-13(18-17-9)16-11(14)7-12(15)19-5-4-10(20)8-19/h2-3,6,10,15,20H,4-5,7-8H2,1H3,(H3,14,16,17,18)/b3-2+,15-12-
InChIKeyGHYKDSZJIJPBGD-MJIZBIMRSA-N
XLogP0.87
TPSA114.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

1-N'-(2-hydroxyethyl)-3-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide
CID 123148033
3-[2-[(dimethylamino)methyl]morpholin-4-yl]-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
CID 123175389
3-[3-(diethylamino)pyrrolidin-1-yl]-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
CID 123195825
3-[2-(aminomethyl)morpholin-4-yl]-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
CID 123208980
3-imino-3-(3-methoxypyrrolidin-1-yl)-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide
CID 123231124
3-imino-3-(3-methoxypyrrolidin-1-yl)-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
CID 123232415
3-(3-hydroxyazetidin-1-yl)-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
CID 123245421
3-imino-3-morpholin-4-yl-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
CID 123395401
3-[3-(dimethylamino)pyrrolidin-1-yl]-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
CID 123402948
3-[4-(hydroxymethyl)piperidin-1-yl]-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
CID 123453736
3-imino-3-morpholin-4-yl-N'-[5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
CID 123510194
3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-imino-N'-[5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
CID 123522512

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypyrrolidin-1-yl)-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide?
The IUPAC name of 3-(3-hydroxypyrrolidin-1-yl)-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide (CID 123196514) is 3-(3-hydroxypyrrolidin-1-yl)-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide.
What is the SMILES notation for 3-(3-hydroxypyrrolidin-1-yl)-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide?
The canonical SMILES for 3-(3-hydroxypyrrolidin-1-yl)-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide is [H]/N=C(/C/C(N)=N/c1cc(/C=C/C)[nH]n1)N1CCC(O)C1.
What is the InChIKey of 3-(3-hydroxypyrrolidin-1-yl)-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide?
The InChIKey is GHYKDSZJIJPBGD-MJIZBIMRSA-N. The full InChI is InChI=1S/C13H20N6O/c1-2-3-9-6-13(18-17-9)16-11(14)7-12(15)19-5-4-10(20)8-19/h2-3,6,10,15,20H,4-5,7-8H2,1H3,(H3,14,16,17,18)/b3-2+,15-12-.
What are the key properties of 3-(3-hydroxypyrrolidin-1-yl)-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide?
3-(3-hydroxypyrrolidin-1-yl)-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide has a molecular weight of 276.34 g/mol, XLogP of 0.87, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypyrrolidin-1-yl)-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide is sourced from PubChem (CID 123196514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).