3-amino-4-(4-chloropyrazol-1-yl)-N-methylbenzamide

C11H11ClN4O — CID 82999659

IUPAC3-amino-4-(4-chloropyrazol-1-yl)-N-methylbenzamide
SMILESCNC(=O)c1ccc(-n2cc(Cl)cn2)c(N)c1
InChIInChI=1S/C11H11ClN4O/c1-14-11(17)7-2-3-10(9(13)4-7)16-6-8(12)5-15-16/h2-6H,13H2,1H3,(H,14,17)
InChIKeyALRWSONWYOXZRV-UHFFFAOYSA-N
MW250.69 g/mol
LogP1.47
Rot. Bonds2

About 3-amino-4-(4-chloropyrazol-1-yl)-N-methylbenzamide

3-amino-4-(4-chloropyrazol-1-yl)-N-methylbenzamide (PubChem CID 82999659) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is 3-amino-4-(4-chloropyrazol-1-yl)-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-4-(4-chloropyrazol-1-yl)-N-methylbenzamide
PubChem CID82999659
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC Name3-amino-4-(4-chloropyrazol-1-yl)-N-methylbenzamide
SMILESCNC(=O)c1ccc(-n2cc(Cl)cn2)c(N)c1
InChIInChI=1S/C11H11ClN4O/c1-14-11(17)7-2-3-10(9(13)4-7)16-6-8(12)5-15-16/h2-6H,13H2,1H3,(H,14,17)
InChIKeyALRWSONWYOXZRV-UHFFFAOYSA-N
XLogP1.47
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-chloropyrazol-1-yl)-N-methylbenzamide?
The IUPAC name of 3-amino-4-(4-chloropyrazol-1-yl)-N-methylbenzamide (CID 82999659) is 3-amino-4-(4-chloropyrazol-1-yl)-N-methylbenzamide.
What is the SMILES notation for 3-amino-4-(4-chloropyrazol-1-yl)-N-methylbenzamide?
The canonical SMILES for 3-amino-4-(4-chloropyrazol-1-yl)-N-methylbenzamide is CNC(=O)c1ccc(-n2cc(Cl)cn2)c(N)c1.
What is the InChIKey of 3-amino-4-(4-chloropyrazol-1-yl)-N-methylbenzamide?
The InChIKey is ALRWSONWYOXZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c1-14-11(17)7-2-3-10(9(13)4-7)16-6-8(12)5-15-16/h2-6H,13H2,1H3,(H,14,17).
What are the key properties of 3-amino-4-(4-chloropyrazol-1-yl)-N-methylbenzamide?
3-amino-4-(4-chloropyrazol-1-yl)-N-methylbenzamide has a molecular weight of 250.69 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-chloropyrazol-1-yl)-N-methylbenzamide is sourced from PubChem (CID 82999659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).