1H-pyrazole-5-carboximidamide

C4H6N4 — CID 135741956

IUPAC1H-pyrazole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccn[nH]1
InChIInChI=1S/C4H6N4/c5-4(6)3-1-2-7-8-3/h1-2H,(H3,5,6)(H,7,8)
InChIKeyWBNTUGPRADFXAL-UHFFFAOYSA-N
MW110.12 g/mol
LogP-0.31
Rot. Bonds1

About 1H-pyrazole-5-carboximidamide

1H-pyrazole-5-carboximidamide (PubChem CID 135741956) has the molecular formula C4H6N4 and a molecular weight of 110.12 g/mol. Its IUPAC name is 1H-pyrazole-5-carboximidamide.

Molecular Properties

Compound Name1H-pyrazole-5-carboximidamide
PubChem CID135741956
Molecular FormulaC4H6N4
Molecular Weight110.12 g/mol
Exact Mass110.06
IUPAC Name1H-pyrazole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccn[nH]1
InChIInChI=1S/C4H6N4/c5-4(6)3-1-2-7-8-3/h1-2H,(H3,5,6)(H,7,8)
InChIKeyWBNTUGPRADFXAL-UHFFFAOYSA-N
XLogP-0.31
TPSA78.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.12
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
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 1H-pyrazole-5-carboximidamide?
The IUPAC name of 1H-pyrazole-5-carboximidamide (CID 135741956) is 1H-pyrazole-5-carboximidamide.
What is the SMILES notation for 1H-pyrazole-5-carboximidamide?
The canonical SMILES for 1H-pyrazole-5-carboximidamide is [H]/N=C(\N)c1ccn[nH]1.
What is the InChIKey of 1H-pyrazole-5-carboximidamide?
The InChIKey is WBNTUGPRADFXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4/c5-4(6)3-1-2-7-8-3/h1-2H,(H3,5,6)(H,7,8).
What are the key properties of 1H-pyrazole-5-carboximidamide?
1H-pyrazole-5-carboximidamide has a molecular weight of 110.12 g/mol, XLogP of -0.31, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazole-5-carboximidamide is sourced from PubChem (CID 135741956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).