3-amino-4,5-dichloro-N-(1H-pyrazol-5-ylmethyl)benzamide

C11H10Cl2N4O — CID 61284863

IUPAC3-amino-4,5-dichloro-N-(1H-pyrazol-5-ylmethyl)benzamide
SMILESNc1cc(C(=O)NCc2ccn[nH]2)cc(Cl)c1Cl
InChIInChI=1S/C11H10Cl2N4O/c12-8-3-6(4-9(14)10(8)13)11(18)15-5-7-1-2-16-17-7/h1-4H,5,14H2,(H,15,18)(H,16,17)
InChIKeyGQDKATYJFHDOPQ-UHFFFAOYSA-N
MW285.13 g/mol
LogP2.23
Rot. Bonds3

About 3-amino-4,5-dichloro-N-(1H-pyrazol-5-ylmethyl)benzamide

3-amino-4,5-dichloro-N-(1H-pyrazol-5-ylmethyl)benzamide (PubChem CID 61284863) has the molecular formula C11H10Cl2N4O and a molecular weight of 285.13 g/mol. Its IUPAC name is 3-amino-4,5-dichloro-N-(1H-pyrazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name3-amino-4,5-dichloro-N-(1H-pyrazol-5-ylmethyl)benzamide
PubChem CID61284863
Molecular FormulaC11H10Cl2N4O
Molecular Weight285.13 g/mol
Exact Mass284.02
IUPAC Name3-amino-4,5-dichloro-N-(1H-pyrazol-5-ylmethyl)benzamide
SMILESNc1cc(C(=O)NCc2ccn[nH]2)cc(Cl)c1Cl
InChIInChI=1S/C11H10Cl2N4O/c12-8-3-6(4-9(14)10(8)13)11(18)15-5-7-1-2-16-17-7/h1-4H,5,14H2,(H,15,18)(H,16,17)
InChIKeyGQDKATYJFHDOPQ-UHFFFAOYSA-N
XLogP2.23
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4,5-dichloro-N-(1H-pyrazol-5-ylmethyl)-1H-pyrrole-2-carboxamide
CID 61216613
3-amino-4,5-dichloro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698144
2-amino-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 61285252
N-(1H-pyrazol-5-ylmethyl)-1H-pyrazole-4-carboxamide
CID 60975279
4-iodo-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 47204233
3,6-dichloro-N-(1H-pyrazol-5-ylmethyl)pyridine-2-carboxamide
CID 47285902
2-oxo-N-(1H-pyrazol-5-ylmethyl)-1H-pyridine-4-carboxamide
CID 103764061
N-(2-acetamidoethyl)-3-amino-4,5-dichlorobenzamide
CID 61095227
3-bromo-4-fluoro-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 103706824
3-amino-4,5-dichloro-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 61349240
N-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 61284513
3-amino-5-bromo-2-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 114011349

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,5-dichloro-N-(1H-pyrazol-5-ylmethyl)benzamide?
The IUPAC name of 3-amino-4,5-dichloro-N-(1H-pyrazol-5-ylmethyl)benzamide (CID 61284863) is 3-amino-4,5-dichloro-N-(1H-pyrazol-5-ylmethyl)benzamide.
What is the SMILES notation for 3-amino-4,5-dichloro-N-(1H-pyrazol-5-ylmethyl)benzamide?
The canonical SMILES for 3-amino-4,5-dichloro-N-(1H-pyrazol-5-ylmethyl)benzamide is Nc1cc(C(=O)NCc2ccn[nH]2)cc(Cl)c1Cl.
What is the InChIKey of 3-amino-4,5-dichloro-N-(1H-pyrazol-5-ylmethyl)benzamide?
The InChIKey is GQDKATYJFHDOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4O/c12-8-3-6(4-9(14)10(8)13)11(18)15-5-7-1-2-16-17-7/h1-4H,5,14H2,(H,15,18)(H,16,17).
What are the key properties of 3-amino-4,5-dichloro-N-(1H-pyrazol-5-ylmethyl)benzamide?
3-amino-4,5-dichloro-N-(1H-pyrazol-5-ylmethyl)benzamide has a molecular weight of 285.13 g/mol, XLogP of 2.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,5-dichloro-N-(1H-pyrazol-5-ylmethyl)benzamide is sourced from PubChem (CID 61284863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).