2-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide

C14H19N5O — CID 107463376

IUPAC2-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide
SMILESCCc1nn(C)cc1NCc1ccccc1/C(N)=N/O
InChIInChI=1S/C14H19N5O/c1-3-12-13(9-19(2)17-12)16-8-10-6-4-5-7-11(10)14(15)18-20/h4-7,9,16,20H,3,8H2,1-2H3,(H2,15,18)
InChIKeyHPSDKYWFXFQZBS-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.69
Rot. Bonds5

About 2-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide

2-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 107463376) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID107463376
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide
SMILESCCc1nn(C)cc1NCc1ccccc1/C(N)=N/O
InChIInChI=1S/C14H19N5O/c1-3-12-13(9-19(2)17-12)16-8-10-6-4-5-7-11(10)14(15)18-20/h4-7,9,16,20H,3,8H2,1-2H3,(H2,15,18)
InChIKeyHPSDKYWFXFQZBS-UHFFFAOYSA-N
XLogP1.69
TPSA88.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.69
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107463393
N-[(2-chlorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103909171
3-ethyl-1-methyl-N-[(1-methylindol-3-yl)methyl]pyrazol-4-amine
CID 107462367
2-[(2-chloroanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77026856
2-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-oxoethyl]benzoic acid
CID 107462256
3-ethyl-1-methyl-N-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-amine
CID 107462626
2-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]pyridine-3-carboxylic acid
CID 114198834
N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-3-ethyl-1-methylpyrazol-4-amine
CID 103908992
N'-hydroxy-2-(propylaminomethyl)benzenecarboximidamide
CID 77028736
(3-ethyl-1-methylpyrazol-4-yl)thiourea
CID 107462555
N-[(5-chloro-2-fluorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103909085
2-[(3-ethylpentan-3-ylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77055815

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide (CID 107463376) is 2-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide is CCc1nn(C)cc1NCc1ccccc1/C(N)=N/O.
What is the InChIKey of 2-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is HPSDKYWFXFQZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-3-12-13(9-19(2)17-12)16-8-10-6-4-5-7-11(10)14(15)18-20/h4-7,9,16,20H,3,8H2,1-2H3,(H2,15,18).
What are the key properties of 2-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide?
2-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 273.34 g/mol, XLogP of 1.69, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 107463376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).