4-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]benzenecarboximidamide

C22H18ClN5 — CID 22953876

IUPAC4-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cc2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncc2)cc1
InChIInChI=1S/C22H18ClN5/c23-18-7-5-16(6-8-18)21-20(15-9-11-26-12-10-15)19(27-28-21)13-14-1-3-17(4-2-14)22(24)25/h1-12H,13H2,(H3,24,25)(H,27,28)
InChIKeyMEEWOYJRTQGSBB-UHFFFAOYSA-N
MW387.87 g/mol
LogP4.67
Rot. Bonds5

About 4-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]benzenecarboximidamide

4-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]benzenecarboximidamide (PubChem CID 22953876) has the molecular formula C22H18ClN5 and a molecular weight of 387.87 g/mol. Its IUPAC name is 4-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]benzenecarboximidamide
PubChem CID22953876
Molecular FormulaC22H18ClN5
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Name4-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cc2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncc2)cc1
InChIInChI=1S/C22H18ClN5/c23-18-7-5-16(6-8-18)21-20(15-9-11-26-12-10-15)19(27-28-21)13-14-1-3-17(4-2-14)22(24)25/h1-12H,13H2,(H3,24,25)(H,27,28)
InChIKeyMEEWOYJRTQGSBB-UHFFFAOYSA-N
XLogP4.67
TPSA91.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'-benzyl-3-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]benzenecarboximidamide
CID 22954143
1-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]piperazine
CID 22037680
3-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N,N-dimethylpropan-1-amine
CID 141026666
2-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethanamine
CID 22953668
2-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methoxy]ethyl-trimethylsilane
CID 69370736
4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]butan-1-amine
CID 22953896
4-[5-[5-(4-chlorophenyl)thiophen-2-yl]thiophen-2-yl]benzenecarboximidamide
CID 164946289
4-[5-(2-hydroxyethyl)-3-pyridin-4-yl-1H-pyrazol-4-yl]benzenesulfonamide
CID 67683899
4-[4-(4-chlorophenyl)-5-ethyl-1H-pyrazol-3-yl]benzenesulfonamide
CID 19355219
2-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-4-methylmorpholine
CID 22037209
4-pyridin-4-yl-5-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-3-carboxylic acid
CID 67683758
[2-(4-chlorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methanamine
CID 178078943

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]benzenecarboximidamide?
The IUPAC name of 4-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]benzenecarboximidamide (CID 22953876) is 4-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]benzenecarboximidamide.
What is the SMILES notation for 4-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]benzenecarboximidamide?
The canonical SMILES for 4-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(Cc2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncc2)cc1.
What is the InChIKey of 4-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]benzenecarboximidamide?
The InChIKey is MEEWOYJRTQGSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN5/c23-18-7-5-16(6-8-18)21-20(15-9-11-26-12-10-15)19(27-28-21)13-14-1-3-17(4-2-14)22(24)25/h1-12H,13H2,(H3,24,25)(H,27,28).
What are the key properties of 4-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]benzenecarboximidamide?
4-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]benzenecarboximidamide has a molecular weight of 387.87 g/mol, XLogP of 4.67, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]benzenecarboximidamide is sourced from PubChem (CID 22953876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).