N'-benzyl-4-(benzylamino)-N-hydroxypyrazole-1-carboximidamide

C18H19N5O — CID 174801420

IUPACN'-benzyl-4-(benzylamino)-N-hydroxypyrazole-1-carboximidamide
SMILESON/C(=N\Cc1ccccc1)n1cc(NCc2ccccc2)cn1
InChIInChI=1S/C18H19N5O/c24-22-18(20-12-16-9-5-2-6-10-16)23-14-17(13-21-23)19-11-15-7-3-1-4-8-15/h1-10,13-14,19,24H,11-12H2,(H,20,22)
InChIKeyZKDPFSZHLZBNNM-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.88
Rot. Bonds5

About N'-benzyl-4-(benzylamino)-N-hydroxypyrazole-1-carboximidamide

N'-benzyl-4-(benzylamino)-N-hydroxypyrazole-1-carboximidamide (PubChem CID 174801420) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N'-benzyl-4-(benzylamino)-N-hydroxypyrazole-1-carboximidamide.

Molecular Properties

Compound NameN'-benzyl-4-(benzylamino)-N-hydroxypyrazole-1-carboximidamide
PubChem CID174801420
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN'-benzyl-4-(benzylamino)-N-hydroxypyrazole-1-carboximidamide
SMILESON/C(=N\Cc1ccccc1)n1cc(NCc2ccccc2)cn1
InChIInChI=1S/C18H19N5O/c24-22-18(20-12-16-9-5-2-6-10-16)23-14-17(13-21-23)19-11-15-7-3-1-4-8-15/h1-10,13-14,19,24H,11-12H2,(H,20,22)
InChIKeyZKDPFSZHLZBNNM-UHFFFAOYSA-N
XLogP2.88
TPSA74.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
CID 150074108
1-N,4-N-dibenzyl-3,6-bis(benzylimino)cyclohexa-1,4-diene-1,4-diamine
CID 101336824
1-benzyl-N-[(4-fluorophenyl)methyl]pyrazol-4-amine
CID 60930766
2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine
CID 11372871
CID 163931246
CID 163931246
N'-[(4-chlorofuran-2-yl)methyl]-N-hydroxy-4-[2-(sulfonylamino)ethylamino]pyrazole-1-carboximidamide
CID 174829905
N-[(1-benzylpyrazol-4-yl)methyl]aniline
CID 43503098
3-[[(1-methylpyrazol-4-yl)amino]methyl]phenol
CID 19627574
1-benzyl-N-(2-fluoroethyl)pyrazol-4-amine
CID 130992839
N-benzylpyridin-3-amine;dihydrochloride
CID 71432393
4-[[(1-ethylpyrazol-4-yl)amino]methyl]phenol
CID 19627559
4-(benzylamino)phenol;hydrochloride
CID 16738613

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-4-(benzylamino)-N-hydroxypyrazole-1-carboximidamide?
The IUPAC name of N'-benzyl-4-(benzylamino)-N-hydroxypyrazole-1-carboximidamide (CID 174801420) is N'-benzyl-4-(benzylamino)-N-hydroxypyrazole-1-carboximidamide.
What is the SMILES notation for N'-benzyl-4-(benzylamino)-N-hydroxypyrazole-1-carboximidamide?
The canonical SMILES for N'-benzyl-4-(benzylamino)-N-hydroxypyrazole-1-carboximidamide is ON/C(=N\Cc1ccccc1)n1cc(NCc2ccccc2)cn1.
What is the InChIKey of N'-benzyl-4-(benzylamino)-N-hydroxypyrazole-1-carboximidamide?
The InChIKey is ZKDPFSZHLZBNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c24-22-18(20-12-16-9-5-2-6-10-16)23-14-17(13-21-23)19-11-15-7-3-1-4-8-15/h1-10,13-14,19,24H,11-12H2,(H,20,22).
What are the key properties of N'-benzyl-4-(benzylamino)-N-hydroxypyrazole-1-carboximidamide?
N'-benzyl-4-(benzylamino)-N-hydroxypyrazole-1-carboximidamide has a molecular weight of 321.38 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-4-(benzylamino)-N-hydroxypyrazole-1-carboximidamide is sourced from PubChem (CID 174801420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).