N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide;hydrochloride

C7H13ClN4 — CID 19002128

IUPACN'-(5-methyl-1H-pyrazol-3-yl)propanimidamide;hydrochloride
SMILESCC/C(N)=N\c1cc(C)[nH]n1.Cl
InChIInChI=1S/C7H12N4.ClH/c1-3-6(8)9-7-4-5(2)10-11-7;/h4H,3H2,1-2H3,(H3,8,9,10,11);1H
InChIKeyBLUUTOGXVTYJPG-UHFFFAOYSA-N
MW188.66 g/mol
LogP1.54
Rot. Bonds2

About N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide;hydrochloride

N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide;hydrochloride (PubChem CID 19002128) has the molecular formula C7H13ClN4 and a molecular weight of 188.66 g/mol. Its IUPAC name is N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide;hydrochloride.

Molecular Properties

Compound NameN'-(5-methyl-1H-pyrazol-3-yl)propanimidamide;hydrochloride
PubChem CID19002128
Molecular FormulaC7H13ClN4
Molecular Weight188.66 g/mol
Exact Mass188.08
IUPAC NameN'-(5-methyl-1H-pyrazol-3-yl)propanimidamide;hydrochloride
SMILESCC/C(N)=N\c1cc(C)[nH]n1.Cl
InChIInChI=1S/C7H12N4.ClH/c1-3-6(8)9-7-4-5(2)10-11-7;/h4H,3H2,1-2H3,(H3,8,9,10,11);1H
InChIKeyBLUUTOGXVTYJPG-UHFFFAOYSA-N
XLogP1.54
TPSA67.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.66
LogP ≤ 51.54
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide;hydrochloride?
The IUPAC name of N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide;hydrochloride (CID 19002128) is N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide;hydrochloride.
What is the SMILES notation for N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide;hydrochloride?
The canonical SMILES for N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide;hydrochloride is CC/C(N)=N\c1cc(C)[nH]n1.Cl.
What is the InChIKey of N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide;hydrochloride?
The InChIKey is BLUUTOGXVTYJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4.ClH/c1-3-6(8)9-7-4-5(2)10-11-7;/h4H,3H2,1-2H3,(H3,8,9,10,11);1H.
What are the key properties of N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide;hydrochloride?
N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide;hydrochloride has a molecular weight of 188.66 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide;hydrochloride is sourced from PubChem (CID 19002128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).