5-amino-4-pyrimidin-4-ylpyrazole-1-carboximidamide

C8H9N7 — CID 21495087

IUPAC5-amino-4-pyrimidin-4-ylpyrazole-1-carboximidamide
SMILES[H]/N=C(\N)n1ncc(-c2ccncn2)c1N
InChIInChI=1S/C8H9N7/c9-7-5(3-14-15(7)8(10)11)6-1-2-12-4-13-6/h1-4H,9H2,(H3,10,11)
InChIKeyWZOLYGXFESMWOT-UHFFFAOYSA-N
MW203.21 g/mol
LogP-0.34
Rot. Bonds1

About 5-amino-4-pyrimidin-4-ylpyrazole-1-carboximidamide

5-amino-4-pyrimidin-4-ylpyrazole-1-carboximidamide (PubChem CID 21495087) has the molecular formula C8H9N7 and a molecular weight of 203.21 g/mol. Its IUPAC name is 5-amino-4-pyrimidin-4-ylpyrazole-1-carboximidamide.

Molecular Properties

Compound Name5-amino-4-pyrimidin-4-ylpyrazole-1-carboximidamide
PubChem CID21495087
Molecular FormulaC8H9N7
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name5-amino-4-pyrimidin-4-ylpyrazole-1-carboximidamide
SMILES[H]/N=C(\N)n1ncc(-c2ccncn2)c1N
InChIInChI=1S/C8H9N7/c9-7-5(3-14-15(7)8(10)11)6-1-2-12-4-13-6/h1-4H,9H2,(H3,10,11)
InChIKeyWZOLYGXFESMWOT-UHFFFAOYSA-N
XLogP-0.34
TPSA119.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-aminopyrazole-1-carboximidamide;hydrochloride
CID 19382651
4-(4-iodo-3-pyridinyl)pyrimidine
CID 147379627
pyrrolo[3,2-d][1,3]diazepine
CID 70359339
5-pyrimidin-4-ylpyridin-2-amine
CID 130447007
N-(8-pyrimidin-4-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)acetamide
CID 21495095
4-(1-methylpyrazol-4-yl)pyrimidine
CID 3477787
triazole-2-carboximidamide
CID 130367055
5-iodo-1-methyl-3-pyrimidin-4-ylindole
CID 58221787
2-chloro-3-pyrimidin-4-ylbenzenethiol
CID 166070548
2,5-dimethyl-4-pyrimidin-4-ylphenol
CID 136929191
4-(2-fluoro-3-pyridinyl)pyrimidine
CID 67036363
4-(2-sulfanyl-1,2,4-triazol-3-yl)pyrimidine
CID 91460554

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-pyrimidin-4-ylpyrazole-1-carboximidamide?
The IUPAC name of 5-amino-4-pyrimidin-4-ylpyrazole-1-carboximidamide (CID 21495087) is 5-amino-4-pyrimidin-4-ylpyrazole-1-carboximidamide.
What is the SMILES notation for 5-amino-4-pyrimidin-4-ylpyrazole-1-carboximidamide?
The canonical SMILES for 5-amino-4-pyrimidin-4-ylpyrazole-1-carboximidamide is [H]/N=C(\N)n1ncc(-c2ccncn2)c1N.
What is the InChIKey of 5-amino-4-pyrimidin-4-ylpyrazole-1-carboximidamide?
The InChIKey is WZOLYGXFESMWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N7/c9-7-5(3-14-15(7)8(10)11)6-1-2-12-4-13-6/h1-4H,9H2,(H3,10,11).
What are the key properties of 5-amino-4-pyrimidin-4-ylpyrazole-1-carboximidamide?
5-amino-4-pyrimidin-4-ylpyrazole-1-carboximidamide has a molecular weight of 203.21 g/mol, XLogP of -0.34, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-pyrimidin-4-ylpyrazole-1-carboximidamide is sourced from PubChem (CID 21495087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).