N'-[4-(3,5-dimethyl-1H-pyrazol-4-yl)butan-2-ylideneamino]methanediamine

C10H19N5 — CID 6713398

IUPACN'-[4-(3,5-dimethyl-1H-pyrazol-4-yl)butan-2-ylideneamino]methanediamine
SMILESCC(CCc1c(C)n[nH]c1C)=NNCN
InChIInChI=1S/C10H19N5/c1-7(13-12-6-11)4-5-10-8(2)14-15-9(10)3/h12H,4-6,11H2,1-3H3,(H,14,15)
InChIKeyPEJSKMTZOXBNAI-UHFFFAOYSA-N
MW209.30 g/mol
LogP0.84
Rot. Bonds5

About N'-[4-(3,5-dimethyl-1H-pyrazol-4-yl)butan-2-ylideneamino]methanediamine

N'-[4-(3,5-dimethyl-1H-pyrazol-4-yl)butan-2-ylideneamino]methanediamine (PubChem CID 6713398) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is N'-[4-(3,5-dimethyl-1H-pyrazol-4-yl)butan-2-ylideneamino]methanediamine.

Molecular Properties

Compound NameN'-[4-(3,5-dimethyl-1H-pyrazol-4-yl)butan-2-ylideneamino]methanediamine
PubChem CID6713398
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC NameN'-[4-(3,5-dimethyl-1H-pyrazol-4-yl)butan-2-ylideneamino]methanediamine
SMILESCC(CCc1c(C)n[nH]c1C)=NNCN
InChIInChI=1S/C10H19N5/c1-7(13-12-6-11)4-5-10-8(2)14-15-9(10)3/h12H,4-6,11H2,1-3H3,(H,14,15)
InChIKeyPEJSKMTZOXBNAI-UHFFFAOYSA-N
XLogP0.84
TPSA79.09 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[4-(3,5-dimethyl-1H-pyrazol-4-yl)butan-2-ylideneamino]methanediamine?
The IUPAC name of N'-[4-(3,5-dimethyl-1H-pyrazol-4-yl)butan-2-ylideneamino]methanediamine (CID 6713398) is N'-[4-(3,5-dimethyl-1H-pyrazol-4-yl)butan-2-ylideneamino]methanediamine.
What is the SMILES notation for N'-[4-(3,5-dimethyl-1H-pyrazol-4-yl)butan-2-ylideneamino]methanediamine?
The canonical SMILES for N'-[4-(3,5-dimethyl-1H-pyrazol-4-yl)butan-2-ylideneamino]methanediamine is CC(CCc1c(C)n[nH]c1C)=NNCN.
What is the InChIKey of N'-[4-(3,5-dimethyl-1H-pyrazol-4-yl)butan-2-ylideneamino]methanediamine?
The InChIKey is PEJSKMTZOXBNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-7(13-12-6-11)4-5-10-8(2)14-15-9(10)3/h12H,4-6,11H2,1-3H3,(H,14,15).
What are the key properties of N'-[4-(3,5-dimethyl-1H-pyrazol-4-yl)butan-2-ylideneamino]methanediamine?
N'-[4-(3,5-dimethyl-1H-pyrazol-4-yl)butan-2-ylideneamino]methanediamine has a molecular weight of 209.30 g/mol, XLogP of 0.84, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(3,5-dimethyl-1H-pyrazol-4-yl)butan-2-ylideneamino]methanediamine is sourced from PubChem (CID 6713398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).