4-(3-methoxypropyl)-3,5-dimethylpyrazole-1-carboximidamide;hydrochloride

C10H19ClN4O — CID 19382684

IUPAC4-(3-methoxypropyl)-3,5-dimethylpyrazole-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)n1nc(C)c(CCCOC)c1C
InChIInChI=1S/C10H18N4O.ClH/c1-7-9(5-4-6-15-3)8(2)14(13-7)10(11)12;/h4-6H2,1-3H3,(H3,11,12);1H
InChIKeySABHXSQKWWBECZ-UHFFFAOYSA-N
MW246.74 g/mol
LogP1.24
Rot. Bonds4

About 4-(3-methoxypropyl)-3,5-dimethylpyrazole-1-carboximidamide;hydrochloride

4-(3-methoxypropyl)-3,5-dimethylpyrazole-1-carboximidamide;hydrochloride (PubChem CID 19382684) has the molecular formula C10H19ClN4O and a molecular weight of 246.74 g/mol. Its IUPAC name is 4-(3-methoxypropyl)-3,5-dimethylpyrazole-1-carboximidamide;hydrochloride.

Molecular Properties

Compound Name4-(3-methoxypropyl)-3,5-dimethylpyrazole-1-carboximidamide;hydrochloride
PubChem CID19382684
Molecular FormulaC10H19ClN4O
Molecular Weight246.74 g/mol
Exact Mass246.12
IUPAC Name4-(3-methoxypropyl)-3,5-dimethylpyrazole-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)n1nc(C)c(CCCOC)c1C
InChIInChI=1S/C10H18N4O.ClH/c1-7-9(5-4-6-15-3)8(2)14(13-7)10(11)12;/h4-6H2,1-3H3,(H3,11,12);1H
InChIKeySABHXSQKWWBECZ-UHFFFAOYSA-N
XLogP1.24
TPSA76.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypropyl)-3,5-dimethylpyrazole-1-carboximidamide;hydrochloride?
The IUPAC name of 4-(3-methoxypropyl)-3,5-dimethylpyrazole-1-carboximidamide;hydrochloride (CID 19382684) is 4-(3-methoxypropyl)-3,5-dimethylpyrazole-1-carboximidamide;hydrochloride.
What is the SMILES notation for 4-(3-methoxypropyl)-3,5-dimethylpyrazole-1-carboximidamide;hydrochloride?
The canonical SMILES for 4-(3-methoxypropyl)-3,5-dimethylpyrazole-1-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)n1nc(C)c(CCCOC)c1C.
What is the InChIKey of 4-(3-methoxypropyl)-3,5-dimethylpyrazole-1-carboximidamide;hydrochloride?
The InChIKey is SABHXSQKWWBECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O.ClH/c1-7-9(5-4-6-15-3)8(2)14(13-7)10(11)12;/h4-6H2,1-3H3,(H3,11,12);1H.
What are the key properties of 4-(3-methoxypropyl)-3,5-dimethylpyrazole-1-carboximidamide;hydrochloride?
4-(3-methoxypropyl)-3,5-dimethylpyrazole-1-carboximidamide;hydrochloride has a molecular weight of 246.74 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropyl)-3,5-dimethylpyrazole-1-carboximidamide;hydrochloride is sourced from PubChem (CID 19382684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).