2-[(E)-(2-propylpyrazol-3-yl)methylideneamino]guanidine

C8H14N6 — CID 114558063

IUPAC2-[(E)-(2-propylpyrazol-3-yl)methylideneamino]guanidine
SMILESCCCn1nccc1/C=N/N=C(N)N
InChIInChI=1S/C8H14N6/c1-2-5-14-7(3-4-12-14)6-11-13-8(9)10/h3-4,6H,2,5H2,1H3,(H4,9,10,13)/b11-6+
InChIKeyKFVYENCKKSTQLO-IZZDOVSWSA-N
MW194.24 g/mol
LogP-0.10
Rot. Bonds4

About 2-[(E)-(2-propylpyrazol-3-yl)methylideneamino]guanidine

2-[(E)-(2-propylpyrazol-3-yl)methylideneamino]guanidine (PubChem CID 114558063) has the molecular formula C8H14N6 and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-[(E)-(2-propylpyrazol-3-yl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-(2-propylpyrazol-3-yl)methylideneamino]guanidine
PubChem CID114558063
Molecular FormulaC8H14N6
Molecular Weight194.24 g/mol
Exact Mass194.13
IUPAC Name2-[(E)-(2-propylpyrazol-3-yl)methylideneamino]guanidine
SMILESCCCn1nccc1/C=N/N=C(N)N
InChIInChI=1S/C8H14N6/c1-2-5-14-7(3-4-12-14)6-11-13-8(9)10/h3-4,6H,2,5H2,1H3,(H4,9,10,13)/b11-6+
InChIKeyKFVYENCKKSTQLO-IZZDOVSWSA-N
XLogP-0.10
TPSA94.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(E)-3-(2-propylpyrazol-3-yl)prop-2-en-1-ol
CID 114558225
(E)-4-(2-propylpyrazol-3-yl)but-3-en-2-amine
CID 103091534
5-[(Z)-3-bromo-2-methylprop-1-enyl]-1-propylpyrazole
CID 114558242
5-[(E)-2-(chloromethyl)-3-methylbut-1-enyl]-1-propylpyrazole
CID 114558231
5-(4-chlorobut-1-enyl)-1-propylpyrazole
CID 79602926
2-amino-1-(2-propylpyrazol-3-yl)propane-1,3-diol
CID 114558108
(3Z)-N-hydroxy-2-propylpyrazole-3-carboximidoyl chloride
CID 136827782
2-propylpyrazole-3-carboxylic acid
CID 7017775
N-[(E)-3-(2-propylpyrazol-3-yl)prop-2-enyl]cyclopropanamine
CID 114558274
2-amino-1-(2-propylpyrazol-3-yl)propan-1-one
CID 116551709
4-(2-propylpyrazol-3-yl)heptan-4-ol
CID 114865852
(E)-3-(2-ethylpyrazol-3-yl)prop-2-en-1-amine
CID 114557615

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(2-propylpyrazol-3-yl)methylideneamino]guanidine?
The IUPAC name of 2-[(E)-(2-propylpyrazol-3-yl)methylideneamino]guanidine (CID 114558063) is 2-[(E)-(2-propylpyrazol-3-yl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-(2-propylpyrazol-3-yl)methylideneamino]guanidine?
The canonical SMILES for 2-[(E)-(2-propylpyrazol-3-yl)methylideneamino]guanidine is CCCn1nccc1/C=N/N=C(N)N.
What is the InChIKey of 2-[(E)-(2-propylpyrazol-3-yl)methylideneamino]guanidine?
The InChIKey is KFVYENCKKSTQLO-IZZDOVSWSA-N. The full InChI is InChI=1S/C8H14N6/c1-2-5-14-7(3-4-12-14)6-11-13-8(9)10/h3-4,6H,2,5H2,1H3,(H4,9,10,13)/b11-6+.
What are the key properties of 2-[(E)-(2-propylpyrazol-3-yl)methylideneamino]guanidine?
2-[(E)-(2-propylpyrazol-3-yl)methylideneamino]guanidine has a molecular weight of 194.24 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(2-propylpyrazol-3-yl)methylideneamino]guanidine is sourced from PubChem (CID 114558063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).