3-phenyl-1H-pyrazole-5-carboximidamide

C10H10N4 — CID 137027831

IUPAC3-phenyl-1H-pyrazole-5-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C10H10N4/c11-10(12)9-6-8(13-14-9)7-4-2-1-3-5-7/h1-6H,(H3,11,12)(H,13,14)
InChIKeyIXEVSLYLVGVDCO-UHFFFAOYSA-N
MW186.22 g/mol
LogP1.36
Rot. Bonds2

About 3-phenyl-1H-pyrazole-5-carboximidamide

3-phenyl-1H-pyrazole-5-carboximidamide (PubChem CID 137027831) has the molecular formula C10H10N4 and a molecular weight of 186.22 g/mol. Its IUPAC name is 3-phenyl-1H-pyrazole-5-carboximidamide.

Molecular Properties

Compound Name3-phenyl-1H-pyrazole-5-carboximidamide
PubChem CID137027831
Molecular FormulaC10H10N4
Molecular Weight186.22 g/mol
Exact Mass186.09
IUPAC Name3-phenyl-1H-pyrazole-5-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C10H10N4/c11-10(12)9-6-8(13-14-9)7-4-2-1-3-5-7/h1-6H,(H3,11,12)(H,13,14)
InChIKeyIXEVSLYLVGVDCO-UHFFFAOYSA-N
XLogP1.36
TPSA78.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 51.36
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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Related Compounds

N-[(4-carbamimidoylphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 73052491
bis(3-phenyl-1H-pyrazol-5-yl)methanone
CID 174669259
N-[(2S)-1-[(4-carbamimidoylphenyl)methylamino]-1-oxopropan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 156653793
methyl 3-phenyl-1H-pyrazole-5-carboxylate
CID 644585
N'-(2-hydroxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 27698464
1,3-diphenylpyrazole-5-carboximidamide
CID 170235177
N-[(2-methylpropan-2-yl)oxy]-3-phenyl-1H-pyrazole-5-carboxamide
CID 82723163
3-(5-phenyl-1H-pyrrol-2-yl)benzenecarboximidamide
CID 89250354
3-phenyl-1-propan-2-ylpyrazole-5-carboximidamide
CID 121211345
1-(difluoromethyl)-3-phenylpyrazole-5-carboximidamide
CID 121211348
2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 118877078
N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 43392945

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1H-pyrazole-5-carboximidamide?
The IUPAC name of 3-phenyl-1H-pyrazole-5-carboximidamide (CID 137027831) is 3-phenyl-1H-pyrazole-5-carboximidamide.
What is the SMILES notation for 3-phenyl-1H-pyrazole-5-carboximidamide?
The canonical SMILES for 3-phenyl-1H-pyrazole-5-carboximidamide is [H]/N=C(\N)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of 3-phenyl-1H-pyrazole-5-carboximidamide?
The InChIKey is IXEVSLYLVGVDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4/c11-10(12)9-6-8(13-14-9)7-4-2-1-3-5-7/h1-6H,(H3,11,12)(H,13,14).
What are the key properties of 3-phenyl-1H-pyrazole-5-carboximidamide?
3-phenyl-1H-pyrazole-5-carboximidamide has a molecular weight of 186.22 g/mol, XLogP of 1.36, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1H-pyrazole-5-carboximidamide is sourced from PubChem (CID 137027831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).