(2E)-N',2-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)penta-2,4-dienimidamide

C11H16N4 — CID 123365554

IUPAC(2E)-N',2-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)penta-2,4-dienimidamide
SMILESC=C/C=C(C)/C(=N\C)Nc1cc(C)[nH]n1
InChIInChI=1S/C11H16N4/c1-5-6-8(2)11(12-4)13-10-7-9(3)14-15-10/h5-7H,1H2,2-4H3,(H2,12,13,14,15)/b8-6+
InChIKeyUCTAMSXLQQTQSB-SOFGYWHQSA-N
MW204.28 g/mol
LogP2.29
Rot. Bonds3

About (2E)-N',2-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)penta-2,4-dienimidamide

(2E)-N',2-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)penta-2,4-dienimidamide (PubChem CID 123365554) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is (2E)-N',2-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)penta-2,4-dienimidamide.

Molecular Properties

Compound Name(2E)-N',2-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)penta-2,4-dienimidamide
PubChem CID123365554
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name(2E)-N',2-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)penta-2,4-dienimidamide
SMILESC=C/C=C(C)/C(=N\C)Nc1cc(C)[nH]n1
InChIInChI=1S/C11H16N4/c1-5-6-8(2)11(12-4)13-10-7-9(3)14-15-10/h5-7H,1H2,2-4H3,(H2,12,13,14,15)/b8-6+
InChIKeyUCTAMSXLQQTQSB-SOFGYWHQSA-N
XLogP2.29
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-N',2-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)penta-2,4-dienimidamide?
The IUPAC name of (2E)-N',2-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)penta-2,4-dienimidamide (CID 123365554) is (2E)-N',2-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)penta-2,4-dienimidamide.
What is the SMILES notation for (2E)-N',2-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)penta-2,4-dienimidamide?
The canonical SMILES for (2E)-N',2-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)penta-2,4-dienimidamide is C=C/C=C(C)/C(=N\C)Nc1cc(C)[nH]n1.
What is the InChIKey of (2E)-N',2-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)penta-2,4-dienimidamide?
The InChIKey is UCTAMSXLQQTQSB-SOFGYWHQSA-N. The full InChI is InChI=1S/C11H16N4/c1-5-6-8(2)11(12-4)13-10-7-9(3)14-15-10/h5-7H,1H2,2-4H3,(H2,12,13,14,15)/b8-6+.
What are the key properties of (2E)-N',2-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)penta-2,4-dienimidamide?
(2E)-N',2-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)penta-2,4-dienimidamide has a molecular weight of 204.28 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N',2-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)penta-2,4-dienimidamide is sourced from PubChem (CID 123365554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).