2-[1-(5-methyl-1H-pyrazol-4-yl)ethylideneamino]guanidine;hydrochloride

C7H13ClN6 — CID 137202782

IUPAC2-[1-(5-methyl-1H-pyrazol-4-yl)ethylideneamino]guanidine;hydrochloride
SMILESCC(=NN=C(N)N)c1cn[nH]c1C.Cl
InChIInChI=1S/C7H12N6.ClH/c1-4-6(3-10-11-4)5(2)12-13-7(8)9;/h3H,1-2H3,(H,10,11)(H4,8,9,13);1H
InChIKeyJKESYHWVIINESO-UHFFFAOYSA-N
MW216.68 g/mol
LogP0.14
Rot. Bonds2

About 2-[1-(5-methyl-1H-pyrazol-4-yl)ethylideneamino]guanidine;hydrochloride

2-[1-(5-methyl-1H-pyrazol-4-yl)ethylideneamino]guanidine;hydrochloride (PubChem CID 137202782) has the molecular formula C7H13ClN6 and a molecular weight of 216.68 g/mol. Its IUPAC name is 2-[1-(5-methyl-1H-pyrazol-4-yl)ethylideneamino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[1-(5-methyl-1H-pyrazol-4-yl)ethylideneamino]guanidine;hydrochloride
PubChem CID137202782
Molecular FormulaC7H13ClN6
Molecular Weight216.68 g/mol
Exact Mass216.09
IUPAC Name2-[1-(5-methyl-1H-pyrazol-4-yl)ethylideneamino]guanidine;hydrochloride
SMILESCC(=NN=C(N)N)c1cn[nH]c1C.Cl
InChIInChI=1S/C7H12N6.ClH/c1-4-6(3-10-11-4)5(2)12-13-7(8)9;/h3H,1-2H3,(H,10,11)(H4,8,9,13);1H
InChIKeyJKESYHWVIINESO-UHFFFAOYSA-N
XLogP0.14
TPSA105.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.68
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-1-(5-methyl-1H-pyrazol-4-yl)ethylideneamino]guanidine
CID 135573632
(Z)-1-(5-methyl-1H-pyrazol-4-yl)ethylidenehydrazine
CID 166853920
5-methyl-4-prop-1-en-2-yl-1H-pyrazole
CID 70298570
1-(5-methyl-1H-pyrazol-4-yl)ethanone;molecular hydrogen
CID 142236647
2-[(E)-1-[5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-2,4-dihydroxyphenyl]ethylideneamino]guanidine;dihydrochloride
CID 172929445
2-[(E)-1-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]ethylideneamino]guanidine;hydrochloride
CID 45261938
2-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]guanidine
CID 9017468
5-methyl-1H-pyrazol-4-amine;dihydrochloride
CID 50998688
N-(2-amino-2-hydroxyiminoethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 77042461
N'-hydroxy-2-[4-(5-methyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]butanimidamide
CID 77042376
5-methyl-N-pentan-3-yl-1H-pyrazole-4-carboxamide
CID 63996997
N-(4-amino-4-hydroxyiminobutyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 77037575

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methyl-1H-pyrazol-4-yl)ethylideneamino]guanidine;hydrochloride?
The IUPAC name of 2-[1-(5-methyl-1H-pyrazol-4-yl)ethylideneamino]guanidine;hydrochloride (CID 137202782) is 2-[1-(5-methyl-1H-pyrazol-4-yl)ethylideneamino]guanidine;hydrochloride.
What is the SMILES notation for 2-[1-(5-methyl-1H-pyrazol-4-yl)ethylideneamino]guanidine;hydrochloride?
The canonical SMILES for 2-[1-(5-methyl-1H-pyrazol-4-yl)ethylideneamino]guanidine;hydrochloride is CC(=NN=C(N)N)c1cn[nH]c1C.Cl.
What is the InChIKey of 2-[1-(5-methyl-1H-pyrazol-4-yl)ethylideneamino]guanidine;hydrochloride?
The InChIKey is JKESYHWVIINESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N6.ClH/c1-4-6(3-10-11-4)5(2)12-13-7(8)9;/h3H,1-2H3,(H,10,11)(H4,8,9,13);1H.
What are the key properties of 2-[1-(5-methyl-1H-pyrazol-4-yl)ethylideneamino]guanidine;hydrochloride?
2-[1-(5-methyl-1H-pyrazol-4-yl)ethylideneamino]guanidine;hydrochloride has a molecular weight of 216.68 g/mol, XLogP of 0.14, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methyl-1H-pyrazol-4-yl)ethylideneamino]guanidine;hydrochloride is sourced from PubChem (CID 137202782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).