3-[2-(aminomethyl)morpholin-4-yl]-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide

C14H23N7O — CID 123208980

IUPAC3-[2-(aminomethyl)morpholin-4-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)N1CCOC(CN)C1
InChIInChI=1S/C14H23N7O/c1-2-3-10-6-14(20-19-10)18-12(16)7-13(17)21-4-5-22-11(8-15)9-21/h2-3,6,11,17H,4-5,7-9,15H2,1H3,(H3,16,18,19,20)/b3-2+,17-13+
InChIKeyNZLBKENHKIINLQ-PBYWIJKSSA-N
MW305.39 g/mol
LogP0.46
Rot. Bonds5

About 3-[2-(aminomethyl)morpholin-4-yl]-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide

3-[2-(aminomethyl)morpholin-4-yl]-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide (PubChem CID 123208980) has the molecular formula C14H23N7O and a molecular weight of 305.39 g/mol. Its IUPAC name is 3-[2-(aminomethyl)morpholin-4-yl]-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide.

Molecular Properties

Compound Name3-[2-(aminomethyl)morpholin-4-yl]-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
PubChem CID123208980
Molecular FormulaC14H23N7O
Molecular Weight305.39 g/mol
Exact Mass305.20
IUPAC Name3-[2-(aminomethyl)morpholin-4-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)N1CCOC(CN)C1
InChIInChI=1S/C14H23N7O/c1-2-3-10-6-14(20-19-10)18-12(16)7-13(17)21-4-5-22-11(8-15)9-21/h2-3,6,11,17H,4-5,7-9,15H2,1H3,(H3,16,18,19,20)/b3-2+,17-13+
InChIKeyNZLBKENHKIINLQ-PBYWIJKSSA-N
XLogP0.46
TPSA129.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 50.46
H-Bond Donors ≤ 54
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

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3-[4-(2-fluoroethyl)piperazin-1-yl]-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
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3-(4-ethylpiperazin-1-yl)-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
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3-imino-3-piperazin-1-yl-N'-[5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
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Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)morpholin-4-yl]-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide?
The IUPAC name of 3-[2-(aminomethyl)morpholin-4-yl]-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide (CID 123208980) is 3-[2-(aminomethyl)morpholin-4-yl]-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide.
What is the SMILES notation for 3-[2-(aminomethyl)morpholin-4-yl]-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide?
The canonical SMILES for 3-[2-(aminomethyl)morpholin-4-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)N1CCOC(CN)C1.
What is the InChIKey of 3-[2-(aminomethyl)morpholin-4-yl]-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide?
The InChIKey is NZLBKENHKIINLQ-PBYWIJKSSA-N. The full InChI is InChI=1S/C14H23N7O/c1-2-3-10-6-14(20-19-10)18-12(16)7-13(17)21-4-5-22-11(8-15)9-21/h2-3,6,11,17H,4-5,7-9,15H2,1H3,(H3,16,18,19,20)/b3-2+,17-13+.
What are the key properties of 3-[2-(aminomethyl)morpholin-4-yl]-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide?
3-[2-(aminomethyl)morpholin-4-yl]-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide has a molecular weight of 305.39 g/mol, XLogP of 0.46, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)morpholin-4-yl]-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide is sourced from PubChem (CID 123208980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).