N-imino-N',3-diphenylpyrazole-1-carboximidamide

C16H13N5 — CID 90157706

IUPACN-imino-N',3-diphenylpyrazole-1-carboximidamide
SMILES[H]/N=N/C(=N\c1ccccc1)n1ccc(-c2ccccc2)n1
InChIInChI=1S/C16H13N5/c17-19-16(18-14-9-5-2-6-10-14)21-12-11-15(20-21)13-7-3-1-4-8-13/h1-12,17H/b18-16+,19-17+
InChIKeyJBMFRARLQHXKPO-YWNVXTCZSA-N
MW275.31 g/mol
LogP4.12
Rot. Bonds2

About N-imino-N',3-diphenylpyrazole-1-carboximidamide

N-imino-N',3-diphenylpyrazole-1-carboximidamide (PubChem CID 90157706) has the molecular formula C16H13N5 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-imino-N',3-diphenylpyrazole-1-carboximidamide.

Molecular Properties

Compound NameN-imino-N',3-diphenylpyrazole-1-carboximidamide
PubChem CID90157706
Molecular FormulaC16H13N5
Molecular Weight275.31 g/mol
Exact Mass275.12
IUPAC NameN-imino-N',3-diphenylpyrazole-1-carboximidamide
SMILES[H]/N=N/C(=N\c1ccccc1)n1ccc(-c2ccccc2)n1
InChIInChI=1S/C16H13N5/c17-19-16(18-14-9-5-2-6-10-14)21-12-11-15(20-21)13-7-3-1-4-8-13/h1-12,17H/b18-16+,19-17+
InChIKeyJBMFRARLQHXKPO-YWNVXTCZSA-N
XLogP4.12
TPSA66.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[bis(3-phenylpyrazol-1-yl)methyl]-3-phenylpyrazole;chromium
CID 87759550
1-[bis(3-phenylpyrazol-1-yl)methyl]-3-phenylpyrazole;molybdenum
CID 87992508
3-(4-aminophenyl)pyrazole-1-carboximidamide;dihydrochloride
CID 19382678
N-(4-chlorophenyl)-3-phenylpyrazole-1-carboxamide
CID 141029463
N-methyl-2-(3-phenylpyrazol-1-yl)aniline
CID 869424
3-phenylpyrazole-1-carbothialdehyde
CID 174821331
4-[(3-phenylpyrazol-1-yl)methyl]phenol
CID 59752932
1,3-diphenylpyrazole-5-carboximidamide
CID 170235177
1-amino-3-iminothiourea;bis(1,1'-biphenyl)
CID 158427000
1,1-dichloro-N-(4-phenylphenyl)methanimine
CID 138974512
2,2,2-trifluoro-1-[2-(3-phenylpyrazol-1-yl)phenyl]ethanol
CID 66743644
3-phenyl-1-[2-[2-(3-phenylpyrazol-1-yl)ethoxy]ethyl]pyrazole
CID 11684541

Frequently Asked Questions

What is the IUPAC name of N-imino-N',3-diphenylpyrazole-1-carboximidamide?
The IUPAC name of N-imino-N',3-diphenylpyrazole-1-carboximidamide (CID 90157706) is N-imino-N',3-diphenylpyrazole-1-carboximidamide.
What is the SMILES notation for N-imino-N',3-diphenylpyrazole-1-carboximidamide?
The canonical SMILES for N-imino-N',3-diphenylpyrazole-1-carboximidamide is [H]/N=N/C(=N\c1ccccc1)n1ccc(-c2ccccc2)n1.
What is the InChIKey of N-imino-N',3-diphenylpyrazole-1-carboximidamide?
The InChIKey is JBMFRARLQHXKPO-YWNVXTCZSA-N. The full InChI is InChI=1S/C16H13N5/c17-19-16(18-14-9-5-2-6-10-14)21-12-11-15(20-21)13-7-3-1-4-8-13/h1-12,17H/b18-16+,19-17+.
What are the key properties of N-imino-N',3-diphenylpyrazole-1-carboximidamide?
N-imino-N',3-diphenylpyrazole-1-carboximidamide has a molecular weight of 275.31 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-imino-N',3-diphenylpyrazole-1-carboximidamide is sourced from PubChem (CID 90157706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).