1-N'-(2-hydroxyethyl)-3-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide

C11H18N6O — CID 123148033

IUPAC1-N'-(2-hydroxyethyl)-3-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide
SMILESC/C=C/c1cc(/N=C(\N)C/C(N)=N/CCO)n[nH]1
InChIInChI=1S/C11H18N6O/c1-2-3-8-6-11(17-16-8)15-10(13)7-9(12)14-4-5-18/h2-3,6,18H,4-5,7H2,1H3,(H2,12,14)(H3,13,15,16,17)/b3-2+
InChIKeyRTEAJDQJLSUYKK-NSCUHMNNSA-N
MW250.31 g/mol
LogP0.17
Rot. Bonds6

About 1-N'-(2-hydroxyethyl)-3-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide

1-N'-(2-hydroxyethyl)-3-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide (PubChem CID 123148033) has the molecular formula C11H18N6O and a molecular weight of 250.31 g/mol. Its IUPAC name is 1-N'-(2-hydroxyethyl)-3-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide.

Molecular Properties

Compound Name1-N'-(2-hydroxyethyl)-3-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide
PubChem CID123148033
Molecular FormulaC11H18N6O
Molecular Weight250.31 g/mol
Exact Mass250.15
IUPAC Name1-N'-(2-hydroxyethyl)-3-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide
SMILESC/C=C/c1cc(/N=C(\N)C/C(N)=N/CCO)n[nH]1
InChIInChI=1S/C11H18N6O/c1-2-3-8-6-11(17-16-8)15-10(13)7-9(12)14-4-5-18/h2-3,6,18H,4-5,7H2,1H3,(H2,12,14)(H3,13,15,16,17)/b3-2+
InChIKeyRTEAJDQJLSUYKK-NSCUHMNNSA-N
XLogP0.17
TPSA125.67 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 50.17
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

3-(3-hydroxypyrrolidin-1-yl)-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
CID 123196514
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-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
3-N'-propan-2-yl-1-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide
CID 123660200
3-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide
CID 123762554
3-N,3-N-dimethyl-1-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide
CID 123785832
3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
CID 123816154
3-N,3-N-diethyl-1-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide
CID 123859274
3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pentanimidamide
CID 123862935
1-N'-(3-morpholin-4-ylpropyl)-3-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide
CID 123894724

Frequently Asked Questions

What is the IUPAC name of 1-N'-(2-hydroxyethyl)-3-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide?
The IUPAC name of 1-N'-(2-hydroxyethyl)-3-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide (CID 123148033) is 1-N'-(2-hydroxyethyl)-3-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide.
What is the SMILES notation for 1-N'-(2-hydroxyethyl)-3-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide?
The canonical SMILES for 1-N'-(2-hydroxyethyl)-3-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide is C/C=C/c1cc(/N=C(\N)C/C(N)=N/CCO)n[nH]1.
What is the InChIKey of 1-N'-(2-hydroxyethyl)-3-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide?
The InChIKey is RTEAJDQJLSUYKK-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H18N6O/c1-2-3-8-6-11(17-16-8)15-10(13)7-9(12)14-4-5-18/h2-3,6,18H,4-5,7H2,1H3,(H2,12,14)(H3,13,15,16,17)/b3-2+.
What are the key properties of 1-N'-(2-hydroxyethyl)-3-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide?
1-N'-(2-hydroxyethyl)-3-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide has a molecular weight of 250.31 g/mol, XLogP of 0.17, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(2-hydroxyethyl)-3-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide is sourced from PubChem (CID 123148033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).